diethyl 2,5-bis[(E)-(3,4-didecylthiophen-2-yl)methylideneamino]thiophene-3,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis[(E)-(3,4-didecylthiophen-2-yl)methylideneamino]thiophene-3,4-dicarboxylate Openeye Name: diethyl 2,5-bis[(E)-(3,4-didecyl-2-thienyl)methyleneamino]thiophene-3,4-dicarboxylate CAS Name: 2,5-bis[(E)-(3,4-didecyl-2-thiophenyl)methylideneamino]thiophene-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis[(E)-(3,4-didecylthiophen-2-yl)methylideneamino]thiophene-3,4-dicarboxylate Traditional Name: 2,5-bis[(E)-(3,4-didecyl-2-thienyl)methyleneamino]thiophene-3,4-dicarboxylic acid diethyl ester Formula: C60H98N2O4S3 MolecularWeight: 1007.62612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CSC(=C1CCCCCCCCCC)C=NC2=C(C(=C(S2)N=CC3=C(C(=CS3)CCCCCCCCCC)CCCCCCCCCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC1=CSC(=C1CCCCCCCCCC)/C=N/C2=C(C(=C(S2)/N=C/C3=C(C(=CS3)CCCCCCCCCC)CCCCCCCCCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C60H98N2O4S3/c1-7-13-17-21-25-29-33-37-41-49-47-67-53(51(49)43-39-35-31-27-23-19-15-9-3)45-61-57-55(59(63)65-11-5)56(60(64)66-12-6)58(69-57)62-46-54-52(44-40-36-32-28-24-20-16-10-4)50(48-68-54)42-38-34-30-26-22-18-14-8-2/h45-48H,7-44H2,1-6H3/b61-45+,62-46+