diethyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N2O4S2/c1-4-24-17(22)15-11(3)16(18(23)25-5-2)20-13(15)10-26-19-21-12-8-6-7-9-14(12)27-19/h6-9,20H,4-5,10H2,1-3H3