[4-[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]-6-tert-butyl-thiopyran-2-yl] propanoate

Systemtic Name: [4-[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]-6-tert-butyl-thiopyran-2-yl] propanoate Openeye Name: [6-tert-butyl-4-(4,6-dioxo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)thiopyran-2-yl] propanoate CAS Name: propanoic acid [6-tert-butyl-4-(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)-2-thiopyranyl] ester IUPAC Name: [6-tert-butyl-4-(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)thiopyran-2-yl] propanoate Traditional Name: propionic acid [6-tert-butyl-4-(4,6-diketo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)thiopyran-2-yl] ester Formula: C28H26N2O4S2 MolecularWeight: 518.64704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C=C(S1)C(C)(C)C

Isomeric SMILES

CCC(=O)OC1=CC(=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C=C(S1)C(C)(C)C

InChI

InChI=1S/C28H26N2O4S2/c1-5-22(31)34-23-17-18(16-21(36-23)28(2,3)4)24-25(32)29(19-12-8-6-9-13-19)27(35)30(26(24)33)20-14-10-7-11-15-20/h6-17H,5H2,1-4H3