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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 5-methyl-2-phenyl-oxazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-oxazolecarboxylic 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] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-oxazole-4-carboxylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N2O4S/c1-15-12-13-25(18-10-6-7-11-19(18)30-15)20(26)14-28-23(27)21-16(2)29-22(24-21)17-8-4-3-5-9-17/h3-11,15H,12-14H2,1-2H3