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

Systemtic Name: (6S)-6-methyl-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: (6S)-6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: (6S)-6-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: (6S)-6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: (6S)-6-methyl-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-9-2-7-12-13(8-9)25-16(14(12)17(21)22)18-15(20)10-3-5-11(6-4-10)19(23)24/h3-6,9H,2,7-8H2,1H3,(H,18,20)(H,21,22)/t9-/m0/s1