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

Systemtic Name: ethyl 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2,5-dioxo-1-pyrrolidinyl)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-(4-succinimidobutanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCN3C(=O)CCC3=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCN3C(=O)CCC3=O

InChI

InChI=1S/C21H22N2O5S/c1-2-28-21(27)19-15(14-7-4-3-5-8-14)13-29-20(19)22-16(24)9-6-12-23-17(25)10-11-18(23)26/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,22,24)