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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)CCC(=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)CCC(=O)[O-])C(=O)N

InChI

InChI=1S/C16H16N2O4S/c17-15(22)12-9-11(8-10-4-2-1-3-5-10)23-16(12)18-13(19)6-7-14(20)21/h1-5,9H,6-8H2,(H2,17,22)(H,18,19)(H,20,21)/p-1