[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-phenyl-4,5-dihydropyridazine-3-carboxylate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate Traditional Name: 6-keto-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=NN(C(=O)CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S/c1-16-13-14-25(19-9-5-6-10-20(19)31-16)22(28)15-30-23(29)18-11-12-21(27)26(24-18)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3