[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4S/c1-3-21(25(32)30-28-29-20-15-9-10-16-22(20)36-28)35-27(34)24-23(17-11-5-4-6-12-17)18-13-7-8-14-19(18)26(33)31(24)2/h4-16,21H,3H2,1-2H3,(H,29,30,32)