[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl] ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CSC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O4S2/c25-20(24-11-13-30-18-5-2-1-4-17(18)24)14-28-22(27)15-7-9-16(10-8-15)23-21(26)19-6-3-12-29-19/h1-10,12H,11,13-14H2,(H,23,26)