ethyl 4-methyl-2-(phenoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-(phenoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-(phenoxycarbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4-methyl-2-[[oxo(phenoxy)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(phenoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(carbophenoxyamino)-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H21NO4S/c1-3-23-18(21)16-15-12(2)8-7-11-14(15)25-17(16)20-19(22)24-13-9-5-4-6-10-13/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H,20,22)