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

Systemtic Name: ethyl 2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4S2/c1-3-12-31-22-11-10-20(26(34)35-4-2)17-23(22)37-27(31)28-24(32)18-36-19-25(33)30-15-13-29(14-16-30)21-8-6-5-7-9-21/h1,5-11,17H,4,12-16,18-19H2,2H3