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

Systemtic Name: methyl 5-[[1-[2-[(3,4-dimethylphenyl)carbonylamino]ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[1-[2-[(3,4-dimethylbenzoyl)amino]ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[1-[2-[[(3,4-dimethylphenyl)-oxomethyl]amino]ethyl]-3-indolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-[2-[(3,4-dimethylbenzoyl)amino]ethyl]indol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[1-[2-[(3,4-dimethylbenzoyl)amino]ethyl]indol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-17-8-9-19(14-18(17)2)25(29)27-12-13-28-15-24(21-6-4-5-7-22(21)28)33-16-20-10-11-23(32-20)26(30)31-3/h4-11,14-15H,12-13,16H2,1-3H3,(H,27,29)