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

Systemtic Name: ethyl 2-[4-[(5-bromanyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoate Openeye Name: ethyl 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[4-[(5-bromo-1,3-benzothiazol-2-yl)methyl]-3-keto-1,4-benzothiazin-2-yl]acetic acid ethyl ester Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(C2=CC=CC=C2S1)CC3=NC4=C(S3)C=CC(=C4)Br

Isomeric SMILES

CCOC(=O)CC1C(=O)N(C2=CC=CC=C2S1)CC3=NC4=C(S3)C=CC(=C4)Br

InChI

InChI=1S/C20H17BrN2O3S2/c1-2-26-19(24)10-17-20(25)23(14-5-3-4-6-16(14)27-17)11-18-22-13-9-12(21)7-8-15(13)28-18/h3-9,17H,2,10-11H2,1H3