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

Systemtic Name: methyl 2-[4-(4-methylphenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-prop-2-ynyl-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methylphenyl)sulfanylbutanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

InChI

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