methyl 1-[2-(4-methylphenyl)sulfanylpropanoyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-(4-methylphenyl)sulfanylpropanoyl]indole-3-carboxylate Openeye Name: methyl 1-[2-(p-tolylsulfanyl)propanoyl]indole-3-carboxylate CAS Name: 1-[2-[(4-methylphenyl)thio]-1-oxopropyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methylphenyl)sulfanylpropanoyl]indole-3-carboxylate Traditional Name: 1-[2-(p-tolylthio)propanoyl]indole-3-carboxylic acid methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H19NO3S/c1-13-8-10-15(11-9-13)25-14(2)19(22)21-12-17(20(23)24-3)16-6-4-5-7-18(16)21/h4-12,14H,1-3H3