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

Systemtic Name: ethyl 4-[[(Z)-2-benzamido-3-[2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[(Z)-2-benzamido-3-[2-[(2-ethoxy-2-oxo-ethyl)carbamoyl]pyrrolidin-1-yl]-3-oxo-prop-1-enyl]amino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[(Z)-2-benzamido-3-[2-[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-3-oxoprop-1-enyl]amino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(Z)-2-benzamido-3-[2-[(2-ethoxy-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-3-oxoprop-1-enyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[(Z)-2-benzamido-3-[2-[(2-ethoxy-2-keto-ethyl)carbamoyl]pyrrolidino]-3-keto-prop-1-enyl]amino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C27H32N6O7S MolecularWeight: 584.64398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1CCCN1C(=O)C(=CNC2=NC(=NC=C2C(=O)OCC)SC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)C1CCCN1C(=O)/C(=C/NC2=NC(=NC=C2C(=O)OCC)SC)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H32N6O7S/c1-4-39-21(34)16-29-24(36)20-12-9-13-33(20)25(37)19(31-23(35)17-10-7-6-8-11-17)15-28-22-18(26(38)40-5-2)14-30-27(32-22)41-3/h6-8,10-11,14-15,20H,4-5,9,12-13,16H2,1-3H3,(H,29,36)(H,31,35)(H,28,30,32)/b19-15-