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

Systemtic Name: ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-prop-2-enyl-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-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]acetyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCCC4=CC=CC=C43)S2)CC=C

InChI

InChI=1S/C26H27N3O4S2/c1-3-13-29-21-12-11-19(25(32)33-4-2)15-22(21)35-26(29)27-23(30)16-34-17-24(31)28-14-7-9-18-8-5-6-10-20(18)28/h3,5-6,8,10-12,15H,1,4,7,9,13-14,16-17H2,2H3