ethyl 4-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(7,8-dimethoxy-1-oxo-isothiochromene-3-carbonyl)amino]benzoate CAS Name: 4-[[(7,8-dimethoxy-1-oxo-2-benzothiopyran-3-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-keto-7,8-dimethoxy-isothiochromene-3-carbonyl)amino]benzoic acid ethyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=C(C=C3)OC)OC)C(=O)S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=C(C=C3)OC)OC)C(=O)S2

InChI

InChI=1S/C21H19NO6S/c1-4-28-20(24)12-5-8-14(9-6-12)22-19(23)16-11-13-7-10-15(26-2)18(27-3)17(13)21(25)29-16/h5-11H,4H2,1-3H3,(H,22,23)