[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O4S2/c23-18(21-14-9-10-25-16-7-3-1-5-13(14)16)11-26-19(24)12-27-20-22-15-6-2-4-8-17(15)28-20/h1-8,14H,9-12H2,(H,21,23)