ethyl 2-azanyl-5-(4-azanyl-3-ethoxycarbonyl-phenyl)sulfanyl-benzoate

Systemtic Name: ethyl 2-azanyl-5-(4-azanyl-3-ethoxycarbonyl-phenyl)sulfanyl-benzoate Openeye Name: ethyl 2-amino-5-(4-amino-3-ethoxycarbonyl-phenyl)sulfanyl-benzoate CAS Name: 2-amino-5-[(4-amino-3-ethoxycarbonylphenyl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(4-amino-3-ethoxycarbonylphenyl)sulfanylbenzoate Traditional Name: 2-amino-5-[(4-amino-3-carbethoxy-phenyl)thio]benzoic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)SC2=CC(=C(C=C2)N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)SC2=CC(=C(C=C2)N)C(=O)OCC)N

InChI

InChI=1S/C18H20N2O4S/c1-3-23-17(21)13-9-11(5-7-15(13)19)25-12-6-8-16(20)14(10-12)18(22)24-4-2/h5-10H,3-4,19-20H2,1-2H3