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

Systemtic Name: [1-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic 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] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[(6-tert-butyl-3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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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=C(N=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O5S/c1-6-16(32-22(29)15-8-7-11-26-19(15)25)20(28)27-21-18(23(30)31-5)14-10-9-13(24(2,3)4)12-17(14)33-21/h7-8,11,13,16H,6,9-10,12H2,1-5H3,(H,27,28)