methyl 2-[5-methyl-6-(4-methylsulfonylphenyl)sulfonyl-thieno[2,3-b]pyrrol-4-yl]ethanoate

Systemtic Name: methyl 2-[5-methyl-6-(4-methylsulfonylphenyl)sulfonyl-thieno[2,3-b]pyrrol-4-yl]ethanoate Openeye Name: methyl 2-[5-methyl-6-(4-methylsulfonylphenyl)sulfonyl-thieno[2,3-b]pyrrol-4-yl]acetate CAS Name: 2-[5-methyl-6-(4-methylsulfonylphenyl)sulfonyl-4-thieno[2,3-b]pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-methyl-6-(4-methylsulfonylphenyl)sulfonylthieno[2,3-b]pyrrol-4-yl]acetate Traditional Name: 2-[6-(4-mesylphenyl)sulfonyl-5-methyl-thieno[2,3-b]pyrrol-4-yl]acetic acid methyl ester Formula: C17H17NO6S3 MolecularWeight: 427.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)SC=C2)CC(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)SC=C2)CC(=O)OC

InChI

InChI=1S/C17H17NO6S3/c1-11-15(10-16(19)24-2)14-8-9-25-17(14)18(11)27(22,23)13-6-4-12(5-7-13)26(3,20)21/h4-9H,10H2,1-3H3