[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S2/c23-18(21-15-9-8-13-4-3-5-14(13)10-15)11-25-19(24)12-26-20-22-16-6-1-2-7-17(16)27-20/h1-2,6-10H,3-5,11-12H2,(H,21,23)