[2-[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]-4-methyl-chromen-7-yl] propanoate

Systemtic Name: [2-[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]-4-methyl-chromen-7-yl] propanoate Openeye Name: [2-(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)-4-methyl-chromen-7-yl] propanoate CAS Name: propanoic acid [2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4-methyl-1-benzopyran-7-yl] ester IUPAC Name: [2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-4-methylchromen-7-yl] propanoate Traditional Name: propionic acid [2-(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)-4-methyl-chromen-7-yl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC2=C(C=C1)C(=CC(=C3C(=O)N(C(=S)N(C3=O)CC)CC)O2)C

Isomeric SMILES

CCC(=O)OC1=CC2=C(C=C1)C(=CC(=C3C(=O)N(C(=S)N(C3=O)CC)CC)O2)C

InChI

InChI=1S/C21H22N2O5S/c1-5-17(24)27-13-8-9-14-12(4)10-16(28-15(14)11-13)18-19(25)22(6-2)21(29)23(7-3)20(18)26/h8-11H,5-7H2,1-4H3