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

Systemtic Name: [1-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate Openeye Name: 1-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [1-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-methoxycarbonyl-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-[(6-tert-butyl-3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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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)OC)OC(=O)C3=CC4=C(C=C3)N=CO4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)OC(=O)C3=CC4=C(C=C3)N=CO4

InChI

InChI=1S/C26H30N2O6S/c1-6-18(34-24(30)14-7-10-17-19(11-14)33-13-27-17)22(29)28-23-21(25(31)32-5)16-9-8-15(26(2,3)4)12-20(16)35-23/h7,10-11,13,15,18H,6,8-9,12H2,1-5H3,(H,28,29)