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

Systemtic Name: ethyl (6S)-6-ethyl-2-[(4-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-ethyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-ethyl-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-ethyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-ethyl-2-(p-anisoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-4-13-6-11-16-17(12-13)27-20(18(16)21(24)26-5-2)22-19(23)14-7-9-15(25-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,23)/t13-/m0/s1