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

Systemtic Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-ethoxy-3-methoxyphenyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-5-29-18-11-8-16(14-19(18)28-4)9-12-21(26)25-23-22(24(27)30-6-2)17-10-7-15(3)13-20(17)31-23/h8,11,14-15H,5-7,9-10,12-13H2,1-4H3,(H,25,26)