[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

C1=CSC(=C1)CSCCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H16N2O3S3/c20-16(18-5-7-23-10-13-2-1-6-24-13)9-22-17(21)12-3-4-14-15(8-12)25-11-19-14/h1-4,6,8,11H,5,7,9-10H2,(H,18,20)