methyl 5-[[1-[2-[(4-methylphenyl)carbonylamino]ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1-[2-[(4-methylphenyl)carbonylamino]ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-[2-[(4-methylbenzoyl)amino]ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-[2-[[(4-methylphenyl)-oxomethyl]amino]ethyl]-3-indolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-[2-[(4-methylbenzoyl)amino]ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-[2-(p-toluoylamino)ethyl]indol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C25H24N2O4S/c1-17-7-9-18(10-8-17)24(28)26-13-14-27-15-23(20-5-3-4-6-21(20)27)32-16-19-11-12-22(31-19)25(29)30-2/h3-12,15H,13-14,16H2,1-2H3,(H,26,28)