methyl 2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxobutyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3S/c1-5-11(6-2)15(19)18-16-14(17(20)21-4)12-8-7-10(3)9-13(12)22-16/h10-11H,5-9H2,1-4H3,(H,18,19)