[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl 4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: [4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]methyl 4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (4,5-dichloro-1,3-benzothiazol-2-yl)methyl 4-anilino-4-oxo-butanoate CAS Name: 4-anilino-4-oxobutanoic acid (4,5-dichloro-1,3-benzothiazol-2-yl)methyl ester IUPAC Name: (4,5-dichloro-1,3-benzothiazol-2-yl)methyl 4-anilino-4-oxobutanoate Traditional Name: 4-anilino-4-keto-butyric acid (4,5-dichloro-1,3-benzothiazol-2-yl)methyl ester Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O3S/c19-12-6-7-13-18(17(12)20)22-15(26-13)10-25-16(24)9-8-14(23)21-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,21,23)