ethyl 2-[9-[(6-ethoxycarbonyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-9-oxidanylidene-nonanoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[9-[(6-ethoxycarbonyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-9-oxidanylidene-nonanoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[9-[(6-ethoxycarbonyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-9-oxo-nonanoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[9-[(6-ethoxycarbonyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-1,9-dioxononyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[9-[(6-ethoxycarbonyl-3-methyl-1,3-benzothiazol-2-ylidene)amino]-9-oxononanoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[9-[(6-carbethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-9-keto-nonanoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C31H36N4O6S2 MolecularWeight: 624.77074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)C)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OCC)C)S2)C

InChI

InChI=1S/C31H36N4O6S2/c1-5-40-28(38)20-14-16-22-24(18-20)42-30(34(22)3)32-26(36)12-10-8-7-9-11-13-27(37)33-31-35(4)23-17-15-21(19-25(23)43-31)29(39)41-6-2/h14-19H,5-13H2,1-4H3