2-[4-[(4-chloranyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-chloranyl-1,3-benzothiazol-2-yl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid CAS Name: 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid IUPAC Name: 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid Traditional Name: 2-[4-[(4-chloro-1,3-benzothiazol-2-yl)methyl]-3-keto-1,4-benzothiazin-2-yl]acetic acid Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)O)CC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)O)CC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C18H13ClN2O3S2/c19-10-4-3-7-13-17(10)20-15(26-13)9-21-11-5-1-2-6-12(11)25-14(18(21)24)8-16(22)23/h1-7,14H,8-9H2,(H,22,23)