2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]phenyl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[4-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]benzyl]thio]-6-methyl-pyrimidin-4-olate Formula: C24H24N3O4S2- MolecularWeight: 482.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)CSC4=NC(=CC(=N4)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)CSC4=NC(=CC(=N4)[O-])C

InChI

InChI=1S/C24H25N3O4S2/c1-3-31-23(30)20-17-6-4-5-7-18(17)33-22(20)27-21(29)16-10-8-15(9-11-16)13-32-24-25-14(2)12-19(28)26-24/h8-12H,3-7,13H2,1-2H3,(H,27,29)(H,25,26,28)/p-1