ethyl (6S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[(3,5-dimethoxybenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[(3,5-dimethoxybenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(3,5-dimethoxybenzoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-5-13-7-8-17-18(9-13)29-21(19(17)22(25)28-6-2)23-20(24)14-10-15(26-3)12-16(11-14)27-4/h10-13H,5-9H2,1-4H3,(H,23,24)/t13-/m0/s1