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

Systemtic Name: ethyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC#C

InChI

InChI=1S/C23H22N2O4S2/c1-4-13-25-19-11-6-16(22(27)29-5-2)15-20(19)31-23(25)24-21(26)12-14-30-18-9-7-17(28-3)8-10-18/h1,6-11,15H,5,12-14H2,2-3H3