[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NC4=NC5=C(S4)C=C(C=C5)OC

InChI

InChI=1S/C27H21N3O5S/c1-30-24(23(16-8-4-3-5-9-16)18-10-6-7-11-19(18)25(30)32)26(33)35-15-22(31)29-27-28-20-13-12-17(34-2)14-21(20)36-27/h3-14H,15H2,1-2H3,(H,28,29,31)