ethyl 4-[1-(2-methylbutyl)-2-sulfanylidene-pyrrolidin-3-yl]-5-(3-methyl-2H-1,2-oxazol-5-ylidene)pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[1-(2-methylbutyl)-2-sulfanylidene-pyrrolidin-3-yl]-5-(3-methyl-2H-1,2-oxazol-5-ylidene)pyrrole-2-carboxylate Openeye Name: ethyl 4-[1-(2-methylbutyl)-2-thioxo-pyrrolidin-3-yl]-5-(3-methyl-2H-isoxazol-5-ylidene)pyrrole-2-carboxylate CAS Name: 4-[1-(2-methylbutyl)-2-sulfanylidene-3-pyrrolidinyl]-5-(3-methyl-2H-isoxazol-5-ylidene)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-5-(3-methyl-2H-1,2-oxazol-5-ylidene)pyrrole-2-carboxylate Traditional Name: 4-[1-(2-methylbutyl)-2-thioxo-pyrrolidin-3-yl]-5-(3-methyl-3-isoxazolin-5-ylidene)pyrrole-2-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1CCC(C1=S)C2=CC(=NC2=C3C=C(NO3)C)C(=O)OCC

Isomeric SMILES

CCC(C)CN1CCC(C1=S)C2=CC(=NC2=C3C=C(NO3)C)C(=O)OCC

InChI

InChI=1S/C20H27N3O3S/c1-5-12(3)11-23-8-7-14(19(23)27)15-10-16(20(24)25-6-2)21-18(15)17-9-13(4)22-26-17/h9-10,12,14,22H,5-8,11H2,1-4H3