ethyl 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-oxo-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-3-keto-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-2-25-19(23)11-17-20(24)22(14-8-4-6-10-16(14)26-17)12-18-21-13-7-3-5-9-15(13)27-18/h3-10,17H,2,11-12H2,1H3