[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(diphenylmethyl)sulfanylethanoate

Systemtic Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(diphenylmethyl)sulfanylethanoate Openeye Name: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-benzhydrylsulfanylacetate CAS Name: 2-[(diphenylmethyl)thio]acetic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-benzhydrylsulfanylacetate Traditional Name: 2-(benzhydrylthio)acetic acid [2-keto-2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)COC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO4S/c1-19-16-23(20(2)27(19)14-15-30-3)24(28)17-31-25(29)18-32-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,16,26H,14-15,17-18H2,1-3H3