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

Systemtic Name: methyl 3-[[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[[4-(2,5-dioxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-succinimidobenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O

InChI

InChI=1S/C21H16N2O5S/c1-28-21(27)19-18(14-4-2-3-5-15(14)29-19)22-20(26)12-6-8-13(9-7-12)23-16(24)10-11-17(23)25/h2-9H,10-11H2,1H3,(H,22,26)