methyl 2-[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]propanoate

Systemtic Name: methyl 2-[4-[(2,5-dimethylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]propanoate Openeye Name: methyl 2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanoate CAS Name: 2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-yl]propanoate Traditional Name: 2-[4-(2,5-dimethylbenzyl)-3-keto-1,4-benzothiazin-2-yl]propionic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3SC(C2=O)C(C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3SC(C2=O)C(C)C(=O)OC

InChI

InChI=1S/C21H23NO3S/c1-13-9-10-14(2)16(11-13)12-22-17-7-5-6-8-18(17)26-19(20(22)23)15(3)21(24)25-4/h5-11,15,19H,12H2,1-4H3