methyl 3-[[[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]amino]methylidene]indole-2-carboxylate

Systemtic Name: methyl 3-[[[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]amino]methylidene]indole-2-carboxylate Openeye Name: methyl 3-[[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]amino]methylene]indole-2-carboxylate CAS Name: 3-[[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]amino]methylidene]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]amino]methylidene]indole-2-carboxylate Traditional Name: 3-[[[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]amino]methylene]indole-2-carboxylic acid methyl ester Formula: C22H17N5O3S MolecularWeight: 431.46708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=CC=CC=C2C1=CNN3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=NC2=CC=CC=C2C1=CNN3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N5O3S/c1-30-22(29)19-13(12-6-2-3-7-14(12)25-19)10-24-27-11-16(28)18(20(27)23)21-26-15-8-4-5-9-17(15)31-21/h2-10,24H,11,23H2,1H3