ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxyphenyl)carbamothioylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-methyl-2-(p-phenetylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CN(CC3)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CN(CC3)C)C(=O)OCC

InChI

InChI=1S/C20H25N3O3S2/c1-4-25-14-8-6-13(7-9-14)21-20(27)22-18-17(19(24)26-5-2)15-10-11-23(3)12-16(15)28-18/h6-9H,4-5,10-12H2,1-3H3,(H2,21,22,27)