4-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-benzyl-3-methoxycarbonyl-2-thienyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[3-methoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-benzyl-3-methoxycarbonylthiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5-benzyl-3-carbomethoxy-2-thienyl)amino]-4-keto-butyric acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)CCC(=O)O

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H17NO5S/c1-23-17(22)13-10-12(9-11-5-3-2-4-6-11)24-16(13)18-14(19)7-8-15(20)21/h2-6,10H,7-9H2,1H3,(H,18,19)(H,20,21)