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

Systemtic Name: methyl 2-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4,8-dimethyl-2-oxo-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4,8-dimethyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,8-dimethyl-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/c1-5-18(27-20(28)13-15(3)16-11-8-9-14(2)22(16)27)23(29)26-24-21(25(30)31-4)17-10-6-7-12-19(17)32-24/h8-9,11,13,18H,5-7,10,12H2,1-4H3,(H,26,29)