[4-[4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]pyrimidin-2-yl]phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]pyrimidin-2-yl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]pyrimidin-2-yl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]pyrimidin-2-yl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]pyrimidin-2-yl]phenyl] ester Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CS3)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=NC(=NC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CS3)/C#N

InChI

InChI=1S/C20H13N3O4S/c1-26-19(24)14(12-21)11-15-8-9-22-18(23-15)13-4-6-16(7-5-13)27-20(25)17-3-2-10-28-17/h2-11H,1H3/b14-11+