methyl 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(2,5-dioxo-1-pyrrolidinyl)phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-(4-succinimidobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)S2)CC#C

InChI

InChI=1S/C23H17N3O5S/c1-3-12-25-17-9-6-15(22(30)31-2)13-18(17)32-23(25)24-21(29)14-4-7-16(8-5-14)26-19(27)10-11-20(26)28/h1,4-9,13H,10-12H2,2H3