ethyl 3-(4-hydroxyphenyl)sulfanyl-2-propan-2-yl-indolizin-4-ium-4-carboxylate

Systemtic Name: ethyl 3-(4-hydroxyphenyl)sulfanyl-2-propan-2-yl-indolizin-4-ium-4-carboxylate Openeye Name: ethyl 3-(4-hydroxyphenyl)sulfanyl-2-isopropyl-indolizin-4-ium-4-carboxylate CAS Name: 3-[(4-hydroxyphenyl)thio]-2-propan-2-yl-4-indolizin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-hydroxyphenyl)sulfanyl-2-propan-2-ylindolizin-4-ium-4-carboxylate Traditional Name: 3-[(4-hydroxyphenyl)thio]-2-isopropyl-indolizin-4-ium-4-carboxylic acid ethyl ester Formula: C20H22NO3S+ MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]12C=CC=CC1=CC(=C2SC3=CC=C(C=C3)O)C(C)C

Isomeric SMILES

CCOC(=O)[N+]12C=CC=CC1=CC(=C2SC3=CC=C(C=C3)O)C(C)C

InChI

InChI=1S/C20H21NO3S/c1-4-24-20(23)21-12-6-5-7-15(21)13-18(14(2)3)19(21)25-17-10-8-16(22)9-11-17/h5-14H,4H2,1-3H3/p+1