propan-2-yl 4-[(5-naphthalen-2-yl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: propan-2-yl 4-[(5-naphthalen-2-yl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: isopropyl 4-[[5-(2-naphthyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(2-naphthalenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(5-naphthalen-2-yl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[[4-keto-5-(2-naphthyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid isopropyl ester Formula: C27H22N2O3S MolecularWeight: 454.54018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H22N2O3S/c1-17(2)32-27(31)20-9-7-18(8-10-20)14-29-16-28-25-24(26(29)30)23(15-33-25)22-12-11-19-5-3-4-6-21(19)13-22/h3-13,15-17H,14H2,1-2H3