3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate

Systemtic Name: 3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate Openeye Name: 3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate CAS Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate Traditional Name: 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylic acid 3-phenylpropyl ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(S2)C(=O)OCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(S2)C(=O)OCCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO2S/c1-14-10-11-17-18(13-14)24-19(15(2)21-17)20(22)23-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3