propan-2-yl 2-[(5-bromanylfuran-2-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(5-bromanylfuran-2-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[(5-bromofuran-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-furoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C19H22BrNO4S/c1-4-11-5-6-12-14(9-11)26-18(16(12)19(23)24-10(2)3)21-17(22)13-7-8-15(20)25-13/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22)