ethyl 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)methyl]-3-keto-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=CC=CC=C2S1)CC3=NC4=CC(=CC(=C4S3)C)C

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=CC=CC=C2S1)CC3=NC4=CC(=CC(=C4S3)C)C

InChI

InChI=1S/C22H22N2O3S2/c1-4-27-20(25)11-18-22(26)24(16-7-5-6-8-17(16)28-18)12-19-23-15-10-13(2)9-14(3)21(15)29-19/h5-10,18H,4,11-12H2,1-3H3