ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H21N3O5S2 MolecularWeight: 495.57064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H21N3O5S2/c1-3-31-23(30)19-14(2)20(21(29)25-15-9-5-4-6-10-15)34-22(19)27-18(28)13-33-24-26-16-11-7-8-12-17(16)32-24/h4-12H,3,13H2,1-2H3,(H,25,29)(H,27,28)