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

Systemtic Name: propan-2-yl 2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-ethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C

InChI

InChI=1S/C18H27NO3S/c1-5-12(6-2)16(20)19-17-15(18(21)22-11(3)4)13-9-7-8-10-14(13)23-17/h11-12H,5-10H2,1-4H3,(H,19,20)