methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C18H19NO5S/c1-10-11(2)25-17(15(10)18(21)22-3)19-16(20)12-5-6-13-14(9-12)24-8-4-7-23-13/h5-6,9H,4,7-8H2,1-3H3,(H,19,20)