ethyl 3-(ethoxycarbonylcarbamothioylamino)-2-oxidanylidene-6-(phenylcarbonyloxy)chromene-4-carboxylate

Systemtic Name: ethyl 3-(ethoxycarbonylcarbamothioylamino)-2-oxidanylidene-6-(phenylcarbonyloxy)chromene-4-carboxylate Openeye Name: ethyl 6-benzoyloxy-3-(ethoxycarbonylcarbamothioylamino)-2-oxo-chromene-4-carboxylate CAS Name: 6-benzoyloxy-3-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-2-oxo-1-benzopyran-4-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzoyloxy-3-(ethoxycarbonylcarbamothioylamino)-2-oxochromene-4-carboxylate Traditional Name: 6-benzoyloxy-3-(carbethoxythiocarbamoylamino)-2-keto-chromene-4-carboxylic acid ethyl ester Formula: C23H20N2O8S MolecularWeight: 484.4785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=S)NC(=O)OCC

InChI

InChI=1S/C23H20N2O8S/c1-3-30-20(27)17-15-12-14(32-19(26)13-8-6-5-7-9-13)10-11-16(15)33-21(28)18(17)24-22(34)25-23(29)31-4-2/h5-12H,3-4H2,1-2H3,(H2,24,25,29,34)