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

Systemtic Name: 1-cyclopropyl-7-[4-(2,2-dimethylpropanoylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(2,2-dimethylpropanoylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[(2,2-dimethyl-1-oxopropyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(2,2-dimethylpropanoylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-8-methoxy-7-[5-methyl-4-(pivaloylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-3-carboxylic acid Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1NC(=O)C(C)(C)C)C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

Isomeric SMILES

CC1CCC2=C(C1NC(=O)C(C)(C)C)C=C(S2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC

InChI

InChI=1S/C28H32N2O5S/c1-14-6-11-20-18(22(14)29-27(34)28(2,3)4)12-21(36-20)16-9-10-17-23(25(16)35-5)30(15-7-8-15)13-19(24(17)31)26(32)33/h9-10,12-15,22H,6-8,11H2,1-5H3,(H,29,34)(H,32,33)