propan-2-yl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-methyl-quinoline-6-carboxylate

Systemtic Name: propan-2-yl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-methyl-quinoline-6-carboxylate Openeye Name: isopropyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-methyl-quinoline-6-carboxylate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-2-methyl-6-quinolinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-methylquinoline-6-carboxylate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-2-methyl-quinoline-6-carboxylic acid isopropyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C)C(=C1)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C)C(=C1)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H21N3O3S2/c1-13(2)29-22(28)15-8-9-17-16(11-15)19(10-14(3)24-17)25-21(27)12-30-23-26-18-6-4-5-7-20(18)31-23/h4-11,13H,12H2,1-3H3,(H,24,25,27)