ethyl 2-(2-chloranyl-6-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)ethanoate

Systemtic Name: ethyl 2-(2-chloranyl-6-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)ethanoate Openeye Name: ethyl 2-(2-chloro-6-pyrrol-1-yl-phenyl)sulfanyl-2-(4-methoxyphenyl)acetate CAS Name: 2-[[2-chloro-6-(1-pyrrolyl)phenyl]thio]-2-(4-methoxyphenyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-6-pyrrol-1-ylphenyl)sulfanyl-2-(4-methoxyphenyl)acetate Traditional Name: 2-[(2-chloro-6-pyrrol-1-yl-phenyl)thio]-2-(4-methoxyphenyl)acetic acid ethyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC)SC2=C(C=CC=C2Cl)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)OC)SC2=C(C=CC=C2Cl)N3C=CC=C3

InChI

InChI=1S/C21H20ClNO3S/c1-3-26-21(24)19(15-9-11-16(25-2)12-10-15)27-20-17(22)7-6-8-18(20)23-13-4-5-14-23/h4-14,19H,3H2,1-2H3