ethyl 4-[[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(p-tolylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-methylbenzyl)-2,3-dihydro-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCN3CC4=CC=C(C=C4)C

InChI

InChI=1S/C24H29N3O3S/c1-3-30-24(29)26-12-10-25(11-13-26)23(28)20-8-9-22-21(16-20)27(14-15-31-22)17-19-6-4-18(2)5-7-19/h4-9,16H,3,10-15,17H2,1-2H3