propan-2-yl 2-chloranyl-5-(4-oxidanylidene-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-(4-oxidanylidene-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)benzoate Openeye Name: isopropyl 2-chloro-5-(4-oxo-2-thioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)benzoate CAS Name: 2-chloro-5-(4-oxo-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-(4-oxo-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)benzoate Traditional Name: 2-chloro-5-(4-keto-2-thioxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-3-yl)benzoic acid isopropyl ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C3=C(CCC3)NC2=S)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C3=C(CCC3)NC2=S)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-9(2)23-16(22)12-8-10(6-7-13(12)18)20-15(21)11-4-3-5-14(11)19-17(20)24/h6-9H,3-5H2,1-2H3,(H,19,24)