ethyl 5-[(Z)-3-azanylbut-2-enoyl]-4-[1-(2-methylbutyl)-2-sulfanylidene-pyrrolidin-3-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-[(Z)-3-azanylbut-2-enoyl]-4-[1-(2-methylbutyl)-2-sulfanylidene-pyrrolidin-3-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-[(Z)-3-aminobut-2-enoyl]-4-[1-(2-methylbutyl)-2-thioxo-pyrrolidin-3-yl]-1H-pyrrole-2-carboxylate CAS Name: 5-[(Z)-3-amino-1-oxobut-2-enyl]-4-[1-(2-methylbutyl)-2-sulfanylidene-3-pyrrolidinyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(Z)-3-aminobut-2-enoyl]-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-1H-pyrrole-2-carboxylate Traditional Name: 5-[(Z)-3-aminobut-2-enoyl]-4-[1-(2-methylbutyl)-2-thioxo-pyrrolidin-3-yl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1CCC(C1=S)C2=C(NC(=C2)C(=O)OCC)C(=O)C=C(C)N

Isomeric SMILES

CCC(C)CN1CCC(C1=S)C2=C(NC(=C2)C(=O)OCC)C(=O)/C=C(/C)\N

InChI

InChI=1S/C20H29N3O3S/c1-5-12(3)11-23-8-7-14(19(23)27)15-10-16(20(25)26-6-2)22-18(15)17(24)9-13(4)21/h9-10,12,14,22H,5-8,11,21H2,1-4H3/b13-9-