ethyl 5-[[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[3-(2,5-dioxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(3-succinimidobenzoyl)amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=CC=C2)N3C(=O)CCC3=O)SC#N)C

InChI

InChI=1S/C20H17N3O5S2/c1-3-28-20(27)17-11(2)16(29-10-21)19(30-17)22-18(26)12-5-4-6-13(9-12)23-14(24)7-8-15(23)25/h4-6,9H,3,7-8H2,1-2H3,(H,22,26)