methyl 4-[2-[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(6-methyl-2,3-dihydrobenzothiophene-2-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(6-methyl-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(6-methyl-2,3-dihydrobenzothiophene-2-carbonyl)amino]ethyl]benzoic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)C=C1

InChI

InChI=1S/C20H21NO3S/c1-13-3-6-16-12-18(25-17(16)11-13)19(22)21-10-9-14-4-7-15(8-5-14)20(23)24-2/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)