methyl 2-[3-(4-cyclopropylphenyl)-5-(2-propoxycyclobutyl)-4-sulfanylidene-pyridin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(4-cyclopropylphenyl)-5-(2-propoxycyclobutyl)-4-sulfanylidene-pyridin-1-yl]ethanoate Openeye Name: methyl 2-[3-(4-cyclopropylphenyl)-5-(2-propoxycyclobutyl)-4-thioxo-1-pyridyl]acetate CAS Name: 2-[3-(4-cyclopropylphenyl)-5-(2-propoxycyclobutyl)-4-sulfanylidene-1-pyridinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-cyclopropylphenyl)-5-(2-propoxycyclobutyl)-4-sulfanylidenepyridin-1-yl]acetate Traditional Name: 2-[3-(4-cyclopropylphenyl)-5-(2-propoxycyclobutyl)-4-thioxo-1-pyridyl]acetic acid methyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC1C2=CN(C=C(C2=S)C3=CC=C(C=C3)C4CC4)CC(=O)OC

Isomeric SMILES

CCCOC1CCC1C2=CN(C=C(C2=S)C3=CC=C(C=C3)C4CC4)CC(=O)OC

InChI

InChI=1S/C24H29NO3S/c1-3-12-28-22-11-10-19(22)21-14-25(15-23(26)27-2)13-20(24(21)29)18-8-6-17(7-9-18)16-4-5-16/h6-9,13-14,16,19,22H,3-5,10-12,15H2,1-2H3