ethyl 2-(2-methylphenyl)carbonyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate

Systemtic Name: ethyl 2-(2-methylphenyl)carbonyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Openeye Name: ethyl 2-(2-methylbenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate CAS Name: 2-[(2-methylphenyl)-oxomethyl]-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylbenzoyl)-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylate Traditional Name: 2-o-toluoyl-5,6,7,8-tetrahydro-4H-1,4-benzothiazine-3-carboxylic acid ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C(N1)CCCC2)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C19H21NO3S/c1-3-23-19(22)16-18(17(21)13-9-5-4-8-12(13)2)24-15-11-7-6-10-14(15)20-16/h4-5,8-9,20H,3,6-7,10-11H2,1-2H3