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

Systemtic Name: 5-azanyl-7-(7-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methyl-4-oxidanylidene-6,7-dihydroquinoline-3-carboxylic acid Openeye Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-8-methyl-4-oxo-6,7-dihydroquinoline-3-carboxylic acid CAS Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methyl-4-oxo-6,7-dihydroquinoline-3-carboxylic acid IUPAC Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-cyclopropyl-8-methyl-4-oxo-6,7-dihydroquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(7-amino-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-cyclopropyl-4-keto-8-methyl-6,7-dihydroquinoline-3-carboxylic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(CC1C3=CC4=C(S3)C(CCC4)N)N)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=C(CC1C3=CC4=C(S3)C(CCC4)N)N)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C22H25N3O3S/c1-10-13(17-7-11-3-2-4-15(23)21(11)29-17)8-16(24)18-19(10)25(12-5-6-12)9-14(20(18)26)22(27)28/h7,9,12-13,15H,2-6,8,23-24H2,1H3,(H,27,28)