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

Systemtic Name: (6S)-2-[(3-chlorophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6S)-2-[(3-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[(3-chlorophenyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6S)-2-[(3-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(3-chlorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C17H15ClNO3S- MolecularWeight: 348.8239

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)[O-])NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c1-9-5-6-12-13(7-9)23-16(14(12)17(21)22)19-15(20)10-3-2-4-11(18)8-10/h2-4,8-9H,5-7H2,1H3,(H,19,20)(H,21,22)/p-1/t9-/m0/s1