ethyl 6-azanyl-7-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-azanyl-7-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-amino-7-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-amino-7-[4-(2H-1,4-benzothiazin-3-yl)-1-piperazinyl]-1-methyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-7-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-amino-7-[4-(2H-1,4-benzothiazin-3-yl)piperazino]-4-keto-1-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C25H27N5O3S MolecularWeight: 477.57858

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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=C5SC4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)N)N3CCN(CC3)C4=NC5=CC=CC=C5SC4)C

InChI

InChI=1S/C25H27N5O3S/c1-3-33-25(32)17-14-28(2)20-13-21(18(26)12-16(20)24(17)31)29-8-10-30(11-9-29)23-15-34-22-7-5-4-6-19(22)27-23/h4-7,12-14H,3,8-11,15,26H2,1-2H3