[2-imidazol-1-yl-1-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)ethyl] 4-chloranylbenzoate

Systemtic Name: [2-imidazol-1-yl-1-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)ethyl] 4-chloranylbenzoate Openeye Name: [2-imidazol-1-yl-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(1-imidazolyl)-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethyl] ester IUPAC Name: [2-imidazol-1-yl-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-imidazol-1-yl-1-(3-keto-4-methyl-1,4-benzothiazin-6-yl)ethyl] ester Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CSC2=C1C=C(C=C2)C(CN3C=CN=C3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)CSC2=C1C=C(C=C2)C(CN3C=CN=C3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-24-17-10-15(4-7-19(17)29-12-20(24)26)18(11-25-9-8-23-13-25)28-21(27)14-2-5-16(22)6-3-14/h2-10,13,18H,11-12H2,1H3