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

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-methyl-quinoline-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2NC(=O)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2NC(=O)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H19N3O3S2/c1-3-28-21(27)14-8-9-16-15(11-14)18(10-13(2)23-16)24-20(26)12-29-22-25-17-6-4-5-7-19(17)30-22/h4-11H,3,12H2,1-2H3,(H,23,24,26)