methyl 2-[4-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[4-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[4-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]sulfanyl]benzoate CAS Name: 2-[[4-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]sulfanylbenzoate Traditional Name: 2-[[4-(4-keto-1,3-benzothiazin-2-yl)-2-pyridyl]thio]benzoic acid methyl ester Formula: C21H14N2O3S2 MolecularWeight: 406.47746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=NC=CC(=C2)C3=NC(=O)C4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=NC=CC(=C2)C3=NC(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C21H14N2O3S2/c1-26-21(25)15-7-3-5-9-17(15)27-18-12-13(10-11-22-18)20-23-19(24)14-6-2-4-8-16(14)28-20/h2-12H,1H3