(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)NC(=O)C)C

InChI

InChI=1S/C19H20ClNO5S/c1-10-11(2)27-18(21-12(3)22)16(10)19(23)26-9-13-7-14(20)17-15(8-13)24-5-4-6-25-17/h7-8H,4-6,9H2,1-3H3,(H,21,22)