2-[[(E)-3-[1-(diphenylmethyl)indol-5-yl]but-2-enoyl]amino]-2-phenyl-butanethioic S-acid

Systemtic Name: 2-[[(E)-3-[1-(diphenylmethyl)indol-5-yl]but-2-enoyl]amino]-2-phenyl-butanethioic S-acid Openeye Name: 2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-2-phenyl-butanethioic S-acid CAS Name: 2-[[(E)-3-[1-(diphenylmethyl)-5-indolyl]-1-oxobut-2-enyl]amino]-2-phenylbutanethioic S-acid IUPAC Name: 2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-2-phenylbutanethioic S-acid Traditional Name: 2-[[(E)-3-(1-benzhydrylindol-5-yl)but-2-enoyl]amino]-2-phenyl-thiobutyric acid Formula: C35H32N2O2S MolecularWeight: 544.70578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)S)NC(=O)C=C(C)C2=CC3=C(C=C2)N(C=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)S)NC(=O)/C=C(\C)/C2=CC3=C(C=C2)N(C=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H32N2O2S/c1-3-35(34(39)40,30-17-11-6-12-18-30)36-32(38)23-25(2)28-19-20-31-29(24-28)21-22-37(31)33(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-24,33H,3H2,1-2H3,(H,36,38)(H,39,40)/b25-23+