tert-butyl 5-[(Z)-(3,3-dimethyl-5-sulfanylidene-pyrrolidin-2-ylidene)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[(Z)-(3,3-dimethyl-5-sulfanylidene-pyrrolidin-2-ylidene)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-[(Z)-(3,3-dimethyl-5-thioxo-pyrrolidin-2-ylidene)methyl]-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(Z)-(3,3-dimethyl-5-sulfanylidene-2-pyrrolidinylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(Z)-(3,3-dimethyl-5-sulfanylidenepyrrolidin-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(Z)-(3,3-dimethyl-5-thioxo-pyrrolidin-2-ylidene)methyl]-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)C=C2C(CC(=S)N2)(C)C

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C(=O)OC(C)(C)C)/C=C\2/C(CC(=S)N2)(C)C

InChI

InChI=1S/C21H30N2O4S/c1-12-13(8-9-17(24)26-7)18(19(25)27-20(2,3)4)22-14(12)10-15-21(5,6)11-16(28)23-15/h10,22H,8-9,11H2,1-7H3,(H,23,28)/b15-10-