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

Systemtic Name: ethyl 3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H18N2O4S2/c1-2-27-21(26)20-16(12-18(30-20)14-8-4-3-5-9-14)23-19(25)13-29-22-24-15-10-6-7-11-17(15)28-22/h3-12H,2,13H2,1H3,(H,23,25)