methyl 2-[[6-[(3-oxidanylidene-1,2-dihydroinden-1-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(3-oxidanylidene-1,2-dihydroinden-1-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(3-oxoindane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[oxo-(3-oxo-1,2-dihydroinden-1-yl)methyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(3-oxo-1,2-dihydroindene-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(3-ketoindane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

InChI

InChI=1S/C20H16N2O4S2/c1-26-18(24)10-27-20-22-15-7-6-11(8-17(15)28-20)21-19(25)14-9-16(23)13-5-3-2-4-12(13)14/h2-8,14H,9-10H2,1H3,(H,21,25)