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

Systemtic Name: methyl 6-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO4S/c1-4-14-7-11-17-18(13-14)28-21(20(17)22(25)27-3)23-19(24)12-8-15-5-9-16(26-2)10-6-15/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,23,24)