(4-aminocarbonylphenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-aminocarbonylphenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-carbamoylbenzyl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H19NO3S/c1-11-2-7-15-14(8-11)9-16(23-15)18(21)22-10-12-3-5-13(6-4-12)17(19)20/h3-6,9,11H,2,7-8,10H2,1H3,(H2,19,20)