ethyl 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-cyclopropyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-cyclopropyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-7-[4-(1,3-benzothiazol-2-yl)piperazino]-1-cyclopropyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=NC5=CC=CC=C5S4)C6CC6

InChI

InChI=1S/C26H27N5O3S/c1-2-34-25(33)18-15-31(16-7-8-16)21-14-22(19(27)13-17(21)24(18)32)29-9-11-30(12-10-29)26-28-20-5-3-4-6-23(20)35-26/h3-6,13-16H,2,7-12,27H2,1H3