(6S)-2-[(3-acetamidophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: (6S)-2-[(3-acetamidophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-2-[(3-acetamidobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-2-[[(3-acetamidophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-2-[(3-acetamidobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-2-[(3-acetamidobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-10-6-7-14-15(8-10)26-18(16(14)19(24)25)21-17(23)12-4-3-5-13(9-12)20-11(2)22/h3-5,9-10H,6-8H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t10-/m0/s1