ethyl 5-chloranyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-chloranyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate Openeye Name: ethyl 5-chloro-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[(3,4,5-trimethoxyphenyl)thio]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[(3,4,5-trimethoxyphenyl)thio]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)SC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H20ClNO5S/c1-5-27-20(23)17-19(13-8-11(21)6-7-14(13)22-17)28-12-9-15(24-2)18(26-4)16(10-12)25-3/h6-10,22H,5H2,1-4H3