ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O5S/c1-4-28-22(26)20-14(2)15(3)31-21(20)24-23(27)25-10-5-7-17(25)16-8-9-18-19(13-16)30-12-6-11-29-18/h8-9,13,17H,4-7,10-12H2,1-3H3,(H,24,27)