dimethyl 1-(1,3-benzothiazol-2-ylamino)-2,5-dimethyl-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzothiazol-2-ylamino)-2,5-dimethyl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzothiazol-2-ylamino)-2,5-dimethyl-pyrrole-3,4-dicarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylamino)-2,5-dimethylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzothiazol-2-ylamino)-2,5-dimethylpyrrole-3,4-dicarboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylamino)-2,5-dimethyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC2=NC3=CC=CC=C3S2)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1NC2=NC3=CC=CC=C3S2)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H17N3O4S/c1-9-13(15(21)23-3)14(16(22)24-4)10(2)20(9)19-17-18-11-7-5-6-8-12(11)25-17/h5-8H,1-4H3,(H,18,19)