[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C17H15NO3S3 MolecularWeight: 377.5009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15NO3S3/c1-10-7-12(11(2)23-10)14(19)8-21-16(20)9-22-17-18-13-5-3-4-6-15(13)24-17/h3-7H,8-9H2,1-2H3