methyl 2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]ethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCN(CC3)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C26H26N4O4S2/c1-3-11-30-21-10-9-19(25(33)34-2)16-22(21)36-26(30)27-23(31)17-35-18-24(32)29-14-12-28(13-15-29)20-7-5-4-6-8-20/h1,4-10,16H,11-15,17-18H2,2H3