methyl 2-[(3-butoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-butoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-butoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-butoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-butoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-butoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-3-4-12-26-15-9-7-8-14(13-15)19(23)22-20-18(21(24)25-2)16-10-5-6-11-17(16)27-20/h7-9,13H,3-6,10-12H2,1-2H3,(H,22,23)