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

Systemtic Name: methyl 2-[3-(4-ethoxyphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-ethoxyphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-ethoxyphenyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-ethoxyphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(3-p-phenetylpropanoylamino)-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:

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

InChI

InChI=1S/C22H27NO4S/c1-4-27-16-9-6-15(7-10-16)8-12-19(24)23-21-20(22(25)26-3)17-11-5-14(2)13-18(17)28-21/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,23,24)