methyl 3-ethoxy-5-(3-methylbutylcarbamoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-ethoxy-5-(3-methylbutylcarbamoylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-ethoxy-5-(isopentylcarbamoylamino)benzothiophene-2-carboxylate CAS Name: 3-ethoxy-5-[[(3-methylbutylamino)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-ethoxy-5-(3-methylbutylcarbamoylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-(isoamylcarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)NCCC(C)C)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)NCCC(C)C)C(=O)OC

InChI

InChI=1S/C18H24N2O4S/c1-5-24-15-13-10-12(20-18(22)19-9-8-11(2)3)6-7-14(13)25-16(15)17(21)23-4/h6-7,10-11H,5,8-9H2,1-4H3,(H2,19,20,22)