2-[5-(4-chlorophenyl)sulfanyl-4-(1-methoxypropyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)sulfanyl-4-(1-methoxypropyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid Openeye Name: 2-[5-(4-chlorophenyl)sulfanyl-4-(1-methoxypropyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[5-[(4-chlorophenyl)thio]-4-(1-methoxypropyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-[5-(4-chlorophenyl)sulfanyl-4-(1-methoxypropyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid Traditional Name: 2-[5-[(4-chlorophenyl)thio]-4-(1-methoxypropyl)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

CCC(C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C23H25ClN2O3S/c1-3-18(29-2)17-10-11-25-23-20(17)22(30-16-8-6-15(24)7-9-16)21-14(13-19(27)28)5-4-12-26(21)23/h6-11,14,18H,3-5,12-13H2,1-2H3,(H,27,28)