ethyl 4-[[3-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(3-isobutoxy-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[[3-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-methylpropoxy)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[(3-isobutoxy-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]benzoic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)CCCC3)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)CCCC3)OCC(C)C

InChI

InChI=1S/C22H27NO4S/c1-4-26-22(25)15-9-11-16(12-10-15)23-21(24)20-19(27-13-14(2)3)17-7-5-6-8-18(17)28-20/h9-12,14H,4-8,13H2,1-3H3,(H,23,24)