ethyl 2-(4-phenylsulfanylbutanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(4-phenylsulfanylbutanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-phenylsulfanylbutanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-4-(phenylthio)butyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-phenylsulfanylbutanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(phenylthio)butanoylimino]-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C23H22N2O3S2/c1-3-14-25-19-13-12-17(22(27)28-4-2)16-20(19)30-23(25)24-21(26)11-8-15-29-18-9-6-5-7-10-18/h1,5-7,9-10,12-13,16H,4,8,11,14-15H2,2H3