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

Systemtic Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate Openeye Name: 1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate Traditional Name: 1,3-benzoxazole-6-carboxylic acid 1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=CC5=C(C=C4)N=CO5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=CC5=C(C=C4)N=CO5

InChI

InChI=1S/C27H23N3O4S/c1-2-22(34-27(32)18-9-11-21-23(12-18)33-15-29-21)25(31)30-26-20(14-28)19-10-8-17(13-24(19)35-26)16-6-4-3-5-7-16/h3-7,9,11-12,15,17,22H,2,8,10,13H2,1H3,(H,30,31)