(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]prop-2-enamide Openeye Name: (E)-N-(2-benzylsulfanylethyl)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-N-[2-(phenylmethylthio)ethyl]-2-propenamide IUPAC Name: (E)-N-(2-benzylsulfanylethyl)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-[2-(benzylthio)ethyl]-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylamide Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-16-14-19(17(2)23(16)20-9-10-20)8-11-21(24)22-12-13-25-15-18-6-4-3-5-7-18/h3-8,11,14,20H,9-10,12-13,15H2,1-2H3,(H,22,24)/b11-8+