methyl 3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C20H22N2O3S2/c1-13-10-16(14(2)22(13)9-8-19(24)25-3)18(23)12-27-20-21-17-7-5-4-6-15(17)11-26-20/h4-7,10H,8-9,11-12H2,1-3H3