[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-5-carboxylate

Systemtic Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1,3-benzoxazole-5-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 1,3-benzoxazole-5-carboxylate CAS Name: 1,3-benzoxazole-5-carboxylic acid [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzoxazole-5-carboxylate Traditional Name: 1,3-benzoxazole-5-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC4=C(C=C3)OC=N4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CC4=C(C=C3)OC=N4

InChI

InChI=1S/C20H17N3O4S/c1-11(27-20(25)12-6-7-16-15(8-12)22-10-26-16)18(24)23-19-14(9-21)13-4-2-3-5-17(13)28-19/h6-8,10-11H,2-5H2,1H3,(H,23,24)