methyl 2-[2-(8-methoxy-4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(8-methoxy-4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(8-methoxy-4-methyl-2-oxo-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(8-methoxy-4-methyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-8-methoxy-4-methyl-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)N3C(=O)C=C(C4=C3C(=CC=C4)OC)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)N3C(=O)C=C(C4=C3C(=CC=C4)OC)C

InChI

InChI=1S/C25H28N2O5S/c1-5-17(27-20(28)13-14(2)15-10-8-11-18(31-3)22(15)27)23(29)26-24-21(25(30)32-4)16-9-6-7-12-19(16)33-24/h8,10-11,13,17H,5-7,9,12H2,1-4H3,(H,26,29)