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

Systemtic Name: [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-ethoxycarbonyl-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-[(6-tert-butyl-3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C27H32N2O6S MolecularWeight: 512.61778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC)OC(=O)C3=C4C(=CC=C3)OC=N4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC)OC(=O)C3=C4C(=CC=C3)OC=N4

InChI

InChI=1S/C27H32N2O6S/c1-6-18(35-25(31)17-9-8-10-19-22(17)28-14-34-19)23(30)29-24-21(26(32)33-7-2)16-12-11-15(27(3,4)5)13-20(16)36-24/h8-10,14-15,18H,6-7,11-13H2,1-5H3,(H,29,30)