methyl (3S)-3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NC(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)N[C@@H](CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-13-10-11-23-16(13)8-9-17(20)19-15(12-18(21)22-2)14-6-4-3-5-7-14/h3-11,15H,12H2,1-2H3,(H,19,20)/b9-8+/t15-/m0/s1