ethyl 3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzoate CAS Name: 3-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 3-[(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=C1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

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

InChI

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