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

Systemtic Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-5-carboxylate Openeye Name: 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 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-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-5-carboxylate Traditional Name: 1,3-benzoxazole-5-carboxylic acid 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-2-16(28-21(26)12-7-8-17-15(9-12)23-11-27-17)19(25)24-20-14(10-22)13-5-3-4-6-18(13)29-20/h7-9,11,16H,2-6H2,1H3,(H,24,25)