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

Systemtic Name: methyl 2-[3-(4-chlorophenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-chlorophenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-chlorophenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-chlorophenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-12-3-9-15-16(11-12)26-19(18(15)20(24)25-2)22-17(23)10-6-13-4-7-14(21)8-5-13/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,22,23)