3-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]-1H-indole-6-carboxylic acid

Systemtic Name: 3-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]-1H-indole-6-carboxylic acid Openeye Name: 3-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-1H-indole-6-carboxylic acid CAS Name: 3-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-1H-indole-6-carboxylic acid IUPAC Name: 3-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]-1H-indole-6-carboxylic acid Traditional Name: 3-[(E)-(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]-1H-indole-6-carboxylic acid Formula: C18H12N2O3S MolecularWeight: 336.36448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=CC3=CNC4=C3C=CC(=C4)C(=O)O)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)/C(=C\C3=CNC4=C3C=CC(=C4)C(=O)O)/S2

InChI

InChI=1S/C18H12N2O3S/c21-17-16(24-15-4-2-1-3-13(15)20-17)8-11-9-19-14-7-10(18(22)23)5-6-12(11)14/h1-9,19H,(H,20,21)(H,22,23)/b16-8+