ethyl 5-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-methyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylene]-2-methyl-pyrrole-3-carboxylate CAS Name: 5-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylidene]-2-methylpyrrole-3-carboxylate Traditional Name: 5-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]methylene]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CNC2=NC3=C(S2)C=C(C=C3)OC)N=C1C

Isomeric SMILES

CCOC(=O)C1=CC(=CNC2=NC3=C(S2)C=C(C=C3)OC)N=C1C

InChI

InChI=1S/C17H17N3O3S/c1-4-23-16(21)13-7-11(19-10(13)2)9-18-17-20-14-6-5-12(22-3)8-15(14)24-17/h5-9H,4H2,1-3H3,(H,18,20)