1-cyclopropyl-9-methyl-4-oxidanylidene-8-(4-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinolizine-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-9-methyl-4-oxidanylidene-8-(4-oxidanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinolizine-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(4-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(4-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(4-hydroxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(4-hydroxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5O

Isomeric SMILES

CC1=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC5=C(S4)CCCC5O

InChI

InChI=1S/C22H21NO4S/c1-11-13(19-10-15-17(24)3-2-4-18(15)28-19)7-8-23-20(11)14(12-5-6-12)9-16(21(23)25)22(26)27/h7-10,12,17,24H,2-6H2,1H3,(H,26,27)