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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)OCC

InChI

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