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

Systemtic Name: methyl 4-fluoranyl-3-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-fluoro-3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-fluoro-3-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H18FNO3S MolecularWeight: 347.403823

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C18H18FNO3S/c1-10-3-6-15-12(7-10)9-16(24-15)17(21)20-14-8-11(18(22)23-2)4-5-13(14)19/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21)