[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-26-16-10-9-13(11-14(16)21)22-18(24)12-27-20(25)8-4-7-19-23-15-5-2-3-6-17(15)28-19/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,22,24)