ethyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

InChI

InChI=1S/C21H26N4O3S2/c1-4-28-19(27)9-15-11-29-21(23-15)30-12-18(26)24-20-17(10-22)13(2)14(3)25(20)16-7-5-6-8-16/h11,16H,4-9,12H2,1-3H3,(H,24,26)