ethyl (E)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(5-methylthiophen-2-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(5-methylthiophen-2-yl)prop-2-enoate Openeye Name: ethyl (E)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(5-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-3-(5-methyl-2-thiophenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(5-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-3-(5-methyl-2-thienyl)acrylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(S1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(S1)C)/NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-4-27-21(26)19(13-17-11-10-14(2)28-17)23-20(25)18(22-15(3)24)12-16-8-6-5-7-9-16/h5-11,13,18H,4,12H2,1-3H3,(H,22,24)(H,23,25)/b19-13+/t18-/m0/s1