2-[4-methylsulfonyl-5-(1,3-thiazol-4-ylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid

Systemtic Name: 2-[4-methylsulfonyl-5-(1,3-thiazol-4-ylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid Openeye Name: 2-(4-methylsulfonyl-5-thiazol-4-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid CAS Name: 2-[4-methylsulfonyl-5-(4-thiazolylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-[4-methylsulfonyl-5-(1,3-thiazol-4-ylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid Traditional Name: 2-[4-mesyl-5-(thiazol-4-ylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C17H17N3O4S3 MolecularWeight: 423.52958

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CSC=N4

Isomeric SMILES

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CSC=N4

InChI

InChI=1S/C17H17N3O4S3/c1-27(23,24)11-4-5-18-17-14(11)16(26-12-8-25-9-19-12)15-10(7-13(21)22)3-2-6-20(15)17/h4-5,8-10H,2-3,6-7H2,1H3,(H,21,22)