O-propan-2-yl [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]thio]methanethioic acid O-isopropyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC(=S)OC(C)C)CC2=CC=CO2)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC(=S)OC(C)C)CC2=CC=CO2)C

InChI

InChI=1S/C18H21N3O3S2/c1-11(2)24-18(25)26-10-16(22)20-17-15(8-19)12(3)13(4)21(17)9-14-6-5-7-23-14/h5-7,11H,9-10H2,1-4H3,(H,20,22)