ethyl 4-[[(Z)-2-benzamido-3-[[(2S)-1-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[(Z)-2-benzamido-3-[[(2S)-1-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[(Z)-2-benzamido-3-[[(1S)-1-benzyl-2-[(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(Z)-2-benzamido-3-[[(2S)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxoprop-1-enyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(Z)-2-benzamido-3-[[(2S)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxoprop-1-enyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[(Z)-2-benzamido-3-[[(1S)-1-benzyl-2-[(2-ethoxy-2-keto-ethyl)amino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C31H34N6O7S MolecularWeight: 634.70266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(=CNC2=NC(=NC=C2C(=O)OCC)SC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C(=C/NC2=NC(=NC=C2C(=O)OCC)SC)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C31H34N6O7S/c1-4-43-25(38)19-33-28(40)23(16-20-12-8-6-9-13-20)35-29(41)24(36-27(39)21-14-10-7-11-15-21)18-32-26-22(30(42)44-5-2)17-34-31(37-26)45-3/h6-15,17-18,23H,4-5,16,19H2,1-3H3,(H,33,40)(H,35,41)(H,36,39)(H,32,34,37)/b24-18-/t23-/m0/s1