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

Systemtic Name: methyl 2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-5-morpholino-benzoate CAS Name: 2-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-5-morpholino-benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-14-3-6-19-15(11-14)12-20(29-19)21(25)23-18-5-4-16(13-17(18)22(26)27-2)24-7-9-28-10-8-24/h4-5,12-14H,3,6-11H2,1-2H3,(H,23,25)