propan-2-yl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(homoveratroylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H29NO5S/c1-13(2)29-23(26)21-16-8-6-14(3)10-19(16)30-22(21)24-20(25)12-15-7-9-17(27-4)18(11-15)28-5/h7,9,11,13-14H,6,8,10,12H2,1-5H3,(H,24,25)