methyl (2R)-3-(1H-indol-3-yl)-2-[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)carbonylamino]propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(6-methyl-2,3-dihydrobenzothiophene-2-carbonyl)amino]propanoate CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(6-methyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(6-methyl-2,3-dihydrobenzothiophene-2-carbonyl)amino]propionic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)C=C1

InChI

InChI=1S/C22H22N2O3S/c1-13-7-8-14-11-20(28-19(14)9-13)21(25)24-18(22(26)27-2)10-15-12-23-17-6-4-3-5-16(15)17/h3-9,12,18,20,23H,10-11H2,1-2H3,(H,24,25)/t18-,20?/m1/s1