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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3CS2

InChI

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