[[(2E)-2-(1H-pyrrol-2-ylmethylidene)-1,4-benzothiazin-3-yl]amino] benzoate

Systemtic Name: [[(2E)-2-(1H-pyrrol-2-ylmethylidene)-1,4-benzothiazin-3-yl]amino] benzoate Openeye Name: [[(2E)-2-(1H-pyrrol-2-ylmethylene)-1,4-benzothiazin-3-yl]amino] benzoate CAS Name: benzoic acid [[(2E)-2-(1H-pyrrol-2-ylmethylidene)-1,4-benzothiazin-3-yl]amino] ester IUPAC Name: [[(2E)-2-(1H-pyrrol-2-ylmethylidene)-1,4-benzothiazin-3-yl]amino] benzoate Traditional Name: benzoic acid [[(2E)-2-(1H-pyrrol-2-ylmethylene)-1,4-benzothiazin-3-yl]amino] ester Formula: C20H15N3O2S MolecularWeight: 361.417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ONC2=NC3=CC=CC=C3SC2=CC4=CC=CN4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ONC\2=NC3=CC=CC=C3S/C2=C/C4=CC=CN4

InChI

InChI=1S/C20H15N3O2S/c24-20(14-7-2-1-3-8-14)25-23-19-18(13-15-9-6-12-21-15)26-17-11-5-4-10-16(17)22-19/h1-13,21H,(H,22,23)/b18-13+