[4-(thiophen-2-ylcarbonylamino)phenyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

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