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

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-[(4-methoxyphenyl)thio]propanoylimino]-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC#C

InChI

InChI=1S/C22H20N2O4S2/c1-4-12-24-18-10-5-15(21(26)28-3)14-19(18)30-22(24)23-20(25)11-13-29-17-8-6-16(27-2)7-9-17/h1,5-10,14H,11-13H2,2-3H3