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

Systemtic Name: 4-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-benzyl-3-methoxycarbonyl-2-thienyl)amino]-4-oxo-butanoate CAS Name: 4-[[3-methoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-4-oxobutanoate IUPAC Name: 4-[(5-benzyl-3-methoxycarbonylthiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-benzyl-3-carbomethoxy-2-thienyl)amino]-4-keto-butyrate Formula: C17H16NO5S- MolecularWeight: 346.37764

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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)/p-1