ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O4S2/c1-3-27-20-12-11-18(24(31)32-4-2)14-21(20)34-25(27)26-22(29)15-33-16-23(30)28-13-7-9-17-8-5-6-10-19(17)28/h5-6,8,10-12,14H,3-4,7,9,13,15-16H2,1-2H3