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

Systemtic Name: methyl 5-chloranyl-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H18ClNO5S/c1-23-14-8-11(9-15(24-2)17(14)25-3)27-18-12-7-10(20)5-6-13(12)21-16(18)19(22)26-4/h5-9,21H,1-4H3