2-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-oxidanyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

Systemtic Name: 2-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-oxidanyl-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid Openeye Name: 3-hydroxy-2-[(3-methylbenzothiophen-2-yl)methyl]-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid CAS Name: 3-hydroxy-2-[(3-methyl-1-benzothiophen-2-yl)methyl]-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid IUPAC Name: 3-hydroxy-2-[(3-methyl-1-benzothiophen-2-yl)methyl]-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-[(3-methylbenzothiophen-2-yl)methyl]-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CC3=C(C(=C4C=CC5=C(C4=N3)CCCC5)C(=O)O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CC3=C(C(=C4C=CC5=C(C4=N3)CCCC5)C(=O)O)O

InChI

InChI=1S/C24H21NO3S/c1-13-15-7-4-5-9-19(15)29-20(13)12-18-23(26)21(24(27)28)17-11-10-14-6-2-3-8-16(14)22(17)25-18/h4-5,7,9-11,26H,2-3,6,8,12H2,1H3,(H,27,28)