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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCCCCCCC(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC

InChI

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