ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-methoxyphenyl)thio]-1-oxobutyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[(4-methoxyphenyl)thio]butanoylimino]-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S2/c1-4-14-26-20-13-8-17(23(28)30-5-2)16-21(20)32-24(26)25-22(27)7-6-15-31-19-11-9-18(29-3)10-12-19/h1,8-13,16H,5-7,14-15H2,2-3H3