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

Systemtic Name: methyl 2-[(7-bromanyl-1-benzoxepin-4-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(7-bromo-1-benzoxepin-4-yl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(7-bromo-1-benzoxepine-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(7-bromo-1-benzoxepin-4-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3

InChI

InChI=1S/C22H20BrNO4S/c1-12-3-5-16-18(9-12)29-21(19(16)22(26)27-2)24-20(25)13-7-8-28-17-6-4-15(23)11-14(17)10-13/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,24,25)