4-[(4-methyl-5-phenylmethoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(4-methyl-5-phenylmethoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(5-benzyloxycarbonyl-4-methyl-thiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(4-methyl-5-phenylmethoxycarbonyl-2-thiazolyl)amino]-4-oxobutanoate IUPAC Name: 4-[(4-methyl-5-phenylmethoxycarbonyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-carbobenzoxy-4-methyl-thiazol-2-yl)amino]-4-keto-butyrate Formula: C16H15N2O5S- MolecularWeight: 347.3657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCC(=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCC(=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O5S/c1-10-14(15(22)23-9-11-5-3-2-4-6-11)24-16(17-10)18-12(19)7-8-13(20)21/h2-6H,7-9H2,1H3,(H,20,21)(H,17,18,19)/p-1