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

Systemtic Name: 2-[[6-[(3-oxidanylidene-1,2-dihydroinden-1-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(3-oxoindane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[oxo-(3-oxo-1,2-dihydroinden-1-yl)methyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(3-oxo-1,2-dihydroindene-1-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(3-ketoindane-1-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)C4=CC=CC=C34

InChI

InChI=1S/C21H18N2O4S2/c1-12(24)27-8-9-28-21-23-17-7-6-13(10-19(17)29-21)22-20(26)16-11-18(25)15-5-3-2-4-14(15)16/h2-7,10,16H,8-9,11H2,1H3,(H,22,26)