ethyl 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)sulfanylethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22ClNO3S2 MolecularWeight: 423.97658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO3S2/c1-3-25-20(24)18-17-12(2)5-4-6-15(17)27-19(18)22-16(23)11-26-14-9-7-13(21)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H,22,23)