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

Systemtic Name: ethyl 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C24H19N3O5S/c1-3-13-26-18-10-7-16(23(31)32-4-2)14-19(18)33-24(26)25-22(30)15-5-8-17(9-6-15)27-20(28)11-12-21(27)29/h1,5-10,14H,4,11-13H2,2H3