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

Systemtic Name: 1-cyclopropyl-8-methoxy-4-oxidanylidene-7-[4-[(phenylmethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-3-carboxylic acid Openeye Name: 7-[4-(benzylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-methoxy-4-oxo-7-[4-[(phenylmethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(benzylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(benzylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C29H28N2O4S MolecularWeight: 500.60862

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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)CCCC5NCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5NCC6=CC=CC=C6

InChI

InChI=1S/C29H28N2O4S/c1-35-28-19(12-13-20-26(28)31(18-10-11-18)16-22(27(20)32)29(33)34)25-14-21-23(8-5-9-24(21)36-25)30-15-17-6-3-2-4-7-17/h2-4,6-7,12-14,16,18,23,30H,5,8-11,15H2,1H3,(H,33,34)