[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-chloro-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-3-(2-thenoylamino)benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C21H14ClN3O4S2 MolecularWeight: 471.93656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H14ClN3O4S2/c22-13-8-7-12(10-15(13)23-19(27)17-6-3-9-30-17)20(28)29-11-18(26)25-21-24-14-4-1-2-5-16(14)31-21/h1-10H,11H2,(H,23,27)(H,24,25,26)