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

Systemtic Name: ethyl 3-aminocarbonyl-2-[(3-propan-2-ylsulfanylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-carbamoyl-2-[(3-isopropylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[oxo-[3-(propan-2-ylthio)phenyl]methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-carbamoyl-2-[(3-propan-2-ylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-carbamoyl-2-[[3-(isopropylthio)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)SC(C)C

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)SC(C)C

InChI

InChI=1S/C21H25N3O4S2/c1-4-28-21(27)24-9-8-15-16(11-24)30-20(17(15)18(22)25)23-19(26)13-6-5-7-14(10-13)29-12(2)3/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,22,25)(H,23,26)