ethyl 2-[(3-methylsulfanylphenyl)carbonylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(3-methylsulfanylphenyl)carbonylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-isopropyl-2-[(3-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[[3-(methylthio)phenyl]-oxomethyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-isopropyl-2-[[3-(methylthio)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(C)C)NC(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(C)C)NC(=O)C3=CC(=CC=C3)SC

InChI

InChI=1S/C21H26N2O3S2/c1-5-26-21(25)18-16-9-10-23(13(2)3)12-17(16)28-20(18)22-19(24)14-7-6-8-15(11-14)27-4/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,22,24)