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

Systemtic Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-1-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-(1,3-benzothiazol-2-yl)piperazino]-4-keto-1-methyl-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C24H23N5O5S MolecularWeight: 493.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C24H23N5O5S/c1-3-34-23(31)16-14-26(2)18-13-19(20(29(32)33)12-15(18)22(16)30)27-8-10-28(11-9-27)24-25-17-6-4-5-7-21(17)35-24/h4-7,12-14H,3,8-11H2,1-2H3