ethyl 5-azanyl-3-(2-oxidanylidenechromen-3-yl)-1-(phenylcarbonylcarbamothioyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-3-(2-oxidanylidenechromen-3-yl)-1-(phenylcarbonylcarbamothioyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(benzoylcarbamothioyl)-3-(2-oxochromen-3-yl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[benzamido(sulfanylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(benzoylcarbamothioyl)-3-(2-oxochromen-3-yl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(benzoylthiocarbamoyl)-3-(2-ketochromen-3-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C2=CC3=CC=CC=C3OC2=O)C(=S)NC(=O)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C2=CC3=CC=CC=C3OC2=O)C(=S)NC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C23H18N4O5S/c1-2-31-22(30)17-18(15-12-14-10-6-7-11-16(14)32-21(15)29)26-27(19(17)24)23(33)25-20(28)13-8-4-3-5-9-13/h3-12H,2,24H2,1H3,(H,25,28,33)