7-[4-[(2-cyanophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(2-cyanophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2-cyanophenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2-cyanophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(2-cyanophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(2-cyanophenyl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C29H25N3O6S2 MolecularWeight: 575.6553

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5NS(=O)(=O)C6=CC=CC=C6C#N

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5NS(=O)(=O)C6=CC=CC=C6C#N

InChI

InChI=1S/C29H25N3O6S2/c1-38-28-18(11-12-19-26(28)32(17-9-10-17)15-21(27(19)33)29(34)35)24-13-20-22(6-4-7-23(20)39-24)31-40(36,37)25-8-3-2-5-16(25)14-30/h2-3,5,8,11-13,15,17,22,31H,4,6-7,9-10H2,1H3,(H,34,35)