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

Systemtic Name: ethyl 4-[3-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]propanoylamino]benzoate Openeye Name: ethyl 4-[3-[(7,8-dimethoxy-1-oxo-isothiochromene-3-carbonyl)amino]propanoylamino]benzoate CAS Name: 4-[[3-[[(7,8-dimethoxy-1-oxo-2-benzothiopyran-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]propanoylamino]benzoate Traditional Name: 4-[3-[(1-keto-7,8-dimethoxy-isothiochromene-3-carbonyl)amino]propanoylamino]benzoic acid ethyl ester Formula: C24H24N2O7S MolecularWeight: 484.52156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O7S/c1-4-33-23(29)14-5-8-16(9-6-14)26-19(27)11-12-25-22(28)18-13-15-7-10-17(31-2)21(32-3)20(15)24(30)34-18/h5-10,13H,4,11-12H2,1-3H3,(H,25,28)(H,26,27)