ethyl 4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]thiomorpholine-3-carboxylate Openeye Name: ethyl 4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]thiomorpholine-3-carboxylate CAS Name: 4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]thiomorpholine-3-carboxylate Traditional Name: 4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]thiomorpholine-3-carboxylic acid ethyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1CSCCN1CC(=O)NC2=C(C(=C(N2C3CCCC3)C)C)C#N

InChI

InChI=1S/C21H30N4O3S/c1-4-28-21(27)18-13-29-10-9-24(18)12-19(26)23-20-17(11-22)14(2)15(3)25(20)16-7-5-6-8-16/h16,18H,4-10,12-13H2,1-3H3,(H,23,26)