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

Systemtic Name: ethyl 4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3CS2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3CS2)C)C

InChI

InChI=1S/C19H20N2O3S2/c1-4-24-18(23)17-12(3)20-11(2)16(17)15(22)10-26-19-21-14-8-6-5-7-13(14)9-25-19/h5-8,20H,4,9-10H2,1-3H3