methyl (3S)-3-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[4-keto-4-(5-methyl-2-thienyl)butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NC(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N[C@@H](CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S/c1-13-8-10-17(25-13)16(21)9-11-18(22)20-15(12-19(23)24-2)14-6-4-3-5-7-14/h3-8,10,15H,9,11-12H2,1-2H3,(H,20,22)/t15-/m0/s1