ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H18N2O3S2/c1-4-23-17(22)16-10(2)15(11(3)19-16)13(21)9-24-18-20-12-7-5-6-8-14(12)25-18/h5-8,19H,4,9H2,1-3H3