methyl 3-[2-(diphenylmethyl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(diphenylmethyl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(benzhydrylthio)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO3S2/c1-25-21(24)20-17(12-13-26-20)22-18(23)14-27-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3,(H,22,23)