[2-ethoxy-4-[(2R)-4-oxidanylidene-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl] naphthalene-1-carboxylate

Systemtic Name: [2-ethoxy-4-[(2R)-4-oxidanylidene-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl] naphthalene-1-carboxylate Openeye Name: [2-ethoxy-4-[(2R)-4-oxo-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-yl]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-ethoxy-4-[(2R)-4-oxo-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(2R)-4-oxo-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-ethoxy-4-[(2R)-4-keto-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-yl]phenyl] ester Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2NC3=C(C4=C(S3)CCCC4)C(=O)N2)OC(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H26N2O4S/c1-2-34-23-16-18(26-30-27(32)25-21-11-5-6-13-24(21)36-28(25)31-26)14-15-22(23)35-29(33)20-12-7-9-17-8-3-4-10-19(17)20/h3-4,7-10,12,14-16,26,31H,2,5-6,11,13H2,1H3,(H,30,32)/t26-/m1/s1