ethyl 2-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(2-thioxo-1,4-dihydroquinazolin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-thioxo-1,4-dihydroquinazolin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)N3CC4=CC=CC=C4NC3=S

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)N3CC4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H22N2O2S2/c1-2-24-19(23)17-14-9-4-3-5-11-16(14)26-18(17)22-12-13-8-6-7-10-15(13)21-20(22)25/h6-8,10H,2-5,9,11-12H2,1H3,(H,21,25)