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

Systemtic Name: methyl 2-azanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-3-carboxylate Openeye Name: methyl 2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-3-carboxylate CAS Name: 2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-3-carboxylate Traditional Name: 2-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-3-carboxylic acid methyl ester Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC3=C(C=C2)OCCCO3)N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC3=C(C=C2)OCCCO3)N

InChI

InChI=1S/C15H15NO4S/c1-18-15(17)13-10(8-21-14(13)16)9-3-4-11-12(7-9)20-6-2-5-19-11/h3-4,7-8H,2,5-6,16H2,1H3