methyl 4,4-bis(azanyl)-3-[(3-methoxycarbonylphenyl)disulfanyl]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: methyl 4,4-bis(azanyl)-3-[(3-methoxycarbonylphenyl)disulfanyl]cyclohexa-2,5-diene-1-carboxylate Openeye Name: methyl 4,4-diamino-3-[(3-methoxycarbonylphenyl)disulfanyl]cyclohexa-2,5-diene-1-carboxylate CAS Name: 4,4-diamino-3-[(3-methoxycarbonylphenyl)disulfanyl]-1-cyclohexa-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 4,4-diamino-3-[(3-methoxycarbonylphenyl)disulfanyl]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4,4-diamino-3-[(3-carbomethoxyphenyl)disulfanyl]cyclohexa-2,5-diene-1-carboxylic acid methyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CC(C(=C1)SSC2=CC=CC(=C2)C(=O)OC)(N)N

Isomeric SMILES

COC(=O)C1C=CC(C(=C1)SSC2=CC=CC(=C2)C(=O)OC)(N)N

InChI

InChI=1S/C16H18N2O4S2/c1-21-14(19)10-4-3-5-12(8-10)23-24-13-9-11(15(20)22-2)6-7-16(13,17)18/h3-9,11H,17-18H2,1-2H3