2-(4-methylsulfonyl-5-thiophen-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid

Systemtic Name: 2-(4-methylsulfonyl-5-thiophen-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-[4-methylsulfonyl-5-(3-thienylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[4-methylsulfonyl-5-(3-thiophenylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-methylsulfonyl-5-thiophen-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-mesyl-5-(3-thienylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CSC=C4

Isomeric SMILES

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CSC=C4

InChI

InChI=1S/C18H18N2O4S3/c1-27(23,24)13-4-6-19-18-15(13)17(26-12-5-8-25-10-12)16-11(9-14(21)22)3-2-7-20(16)18/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,21,22)