methyl 4-[[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]benzoate CAS Name: 4-[[[3-(1,3-benzothiazol-2-yl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]benzoate Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]carbamoyl]benzoic acid methyl ester Formula: C30H25N3O3S2 MolecularWeight: 539.6678

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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)C5=NC6=CC=CC=C6S5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C30H25N3O3S2/c1-36-30(35)21-13-11-20(12-14-21)27(34)32-29-26(28-31-23-9-5-6-10-24(23)37-28)22-15-16-33(18-25(22)38-29)17-19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,32,34)