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

Systemtic Name: ethyl 3-aminocarbonyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-carbamoyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-carbamoyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-carbamoyl-2-[3-[(4-methoxyphenyl)thio]propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O5S2/c1-3-29-21(27)24-10-8-15-16(12-24)31-20(18(15)19(22)26)23-17(25)9-11-30-14-6-4-13(28-2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,22,26)(H,23,25)