methyl 2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]ethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[(2-keto-2-pyrrolidino-ethyl)thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCC3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCC3)S2)CC#C

InChI

InChI=1S/C20H21N3O4S2/c1-3-8-23-15-7-6-14(19(26)27-2)11-16(15)29-20(23)21-17(24)12-28-13-18(25)22-9-4-5-10-22/h1,6-7,11H,4-5,8-10,12-13H2,2H3