methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-(1,3-benzothiazol-2-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

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