methyl 4-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate CAS Name: 4-[[[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate Traditional Name: 4-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)carbamoyl]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H21N3O3S/c1-30-24(29)18-9-7-17(8-10-18)22(28)26-23-20(13-25)19-11-12-27(15-21(19)31-23)14-16-5-3-2-4-6-16/h2-10H,11-12,14-15H2,1H3,(H,26,28)