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

Systemtic Name: ethyl 2-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(2,5-dioxo-1-pyrrolidinyl)-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-(2-succinimidoacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)CCC3=O)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)CCC3=O)S2)CC#C

InChI

InChI=1S/C19H17N3O5S/c1-3-9-21-13-6-5-12(18(26)27-4-2)10-14(13)28-19(21)20-15(23)11-22-16(24)7-8-17(22)25/h1,5-6,10H,4,7-9,11H2,2H3