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

Systemtic Name: methyl 5-nitro-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate Openeye Name: methyl 5-nitro-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate CAS Name: 5-nitro-3-[(3,4,5-trimethoxyphenyl)thio]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-nitro-3-(3,4,5-trimethoxyphenyl)sulfanyl-1H-indole-2-carboxylate Traditional Name: 5-nitro-3-[(3,4,5-trimethoxyphenyl)thio]-1H-indole-2-carboxylic acid methyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H18N2O7S/c1-25-14-8-11(9-15(26-2)17(14)27-3)29-18-12-7-10(21(23)24)5-6-13(12)20-16(18)19(22)28-4/h5-9,20H,1-4H3