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

Systemtic Name: [1-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: 1-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 1-[(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H23ClN2O5S/c1-4-14(29-20(26)13-6-5-9-23-17(13)22)18(25)24-19-16(21(27)28-3)12-8-7-11(2)10-15(12)30-19/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,24,25)