ethyl 2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 2-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate Openeye Name: ethyl 2-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzoate CAS Name: 2-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 2-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C20H18N2O4S/c1-3-25-19(24)15-6-4-5-7-16(15)22-20(27)21-13-8-9-14-12(2)10-18(23)26-17(14)11-13/h4-11H,3H2,1-2H3,(H2,21,22,27)