dimethyl 5-azanyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=CC3=C(C=C2)OCCCO3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=CC3=C(C=C2)OCCCO3)C(=O)OC)N

InChI

InChI=1S/C18H19NO6S2/c1-22-17(20)14-11(15(18(21)23-2)27-16(14)19)9-26-10-4-5-12-13(8-10)25-7-3-6-24-12/h4-5,8H,3,6-7,9,19H2,1-2H3