methyl 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylate CAS Name: 5-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylate Traditional Name: 5-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)C(=O)OC

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C20H23NO5S/c1-12(2)18(13-5-6-14-15(11-13)26-10-4-9-25-14)21-19(22)16-7-8-17(27-16)20(23)24-3/h5-8,11-12,18H,4,9-10H2,1-3H3,(H,21,22)