ethyl 2-oxidanylidene-2-[(4S)-4-(5-phenylthiophen-2-yl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-oxidanylidene-2-[(4S)-4-(5-phenylthiophen-2-yl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[(4S)-6-isopropyl-4-(5-phenyl-2-thienyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-oxo-2-[(4S)-4-(5-phenyl-2-thiophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-oxo-2-[(4S)-4-(5-phenylthiophen-2-yl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]acetate Traditional Name: 2-[(4S)-6-isopropyl-4-(5-phenyl-2-thienyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=C(NC(=S)NC1C2=CC=C(S2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC=C(S2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H22N2O3S2/c1-4-26-20(25)19(24)16-17(12(2)3)22-21(27)23-18(16)15-11-10-14(28-15)13-8-6-5-7-9-13/h5-12,18H,4H2,1-3H3,(H2,22,23,27)/t18-/m1/s1