ethyl 2-[(4-ethylphenyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethylphenyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Openeye Name: ethyl 2-[(4-ethylphenyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate CAS Name: 2-[[(4-ethylanilino)-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethylphenyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 2-[(4-ethylphenyl)thiocarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester Formula: C19H22N2O2S3 MolecularWeight: 406.58518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CSCC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CSCC3)C(=O)OCC

InChI

InChI=1S/C19H22N2O2S3/c1-3-12-5-7-13(8-6-12)20-19(24)21-17-16(18(22)23-4-2)14-9-10-25-11-15(14)26-17/h5-8H,3-4,9-11H2,1-2H3,(H2,20,21,24)