4-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)amino]-4-oxo-butanoate CAS Name: 4-[(3-carbamoyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)amino]-4-keto-butyrate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O4S/c1-9-13(10-5-3-2-4-6-10)14(15(17)22)16(23-9)18-11(19)7-8-12(20)21/h2-6H,7-8H2,1H3,(H2,17,22)(H,18,19)(H,20,21)/p-1