(2-phenyl-1,3-thiazol-4-yl)methyl 4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-amino-2-[(4-chlorobenzoyl)amino]-4-oxo-butanoate CAS Name: 4-amino-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxobutanoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoate Traditional Name: 4-amino-2-[(4-chlorobenzoyl)amino]-4-keto-butyric acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClN3O4S/c22-15-8-6-13(7-9-15)19(27)25-17(10-18(23)26)21(28)29-11-16-12-30-20(24-16)14-4-2-1-3-5-14/h1-9,12,17H,10-11H2,(H2,23,26)(H,25,27)