1,3-benzothiazol-2-ylmethyl 4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-amino-2-[(4-chlorobenzoyl)amino]-4-oxo-butanoate CAS Name: 4-amino-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoate Traditional Name: 4-amino-2-[(4-chlorobenzoyl)amino]-4-keto-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O4S/c20-12-7-5-11(6-8-12)18(25)23-14(9-16(21)24)19(26)27-10-17-22-13-3-1-2-4-15(13)28-17/h1-8,14H,9-10H2,(H2,21,24)(H,23,25)