methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H24N2O4S2 MolecularWeight: 492.60976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H24N2O4S2/c1-31-25(30)23-18-12-11-17(16-7-3-2-4-8-16)15-21(18)34-24(23)28-22(29)13-14-33-26-27-19-9-5-6-10-20(19)32-26/h2-10,17H,11-15H2,1H3,(H,28,29)