[1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=NC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=NC5=C(S4)C=C(C=C5)C

InChI

InChI=1S/C29H25N3O4S/c1-16-9-12-19(13-10-16)24-20-7-5-6-8-21(20)27(34)32(4)25(24)28(35)36-18(3)26(33)31-29-30-22-14-11-17(2)15-23(22)37-29/h5-15,18H,1-4H3,(H,30,31,33)