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

Systemtic Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-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-4-carboxylate Traditional Name: 1,3-benzoxazole-4-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=C4C(=CC=C3)OC=N4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=C4C(=CC=C3)OC=N4

InChI

InChI=1S/C21H19N3O4S/c1-2-15(28-21(26)13-7-5-8-16-18(13)23-11-27-16)19(25)24-20-14(10-22)12-6-3-4-9-17(12)29-20/h5,7-8,11,15H,2-4,6,9H2,1H3,(H,24,25)