3-aminocarbonyl-4-(ethylamino)-2-(2-methoxyethoxy)-2-[2-(4-methoxyphenyl)ethyl]-4-sulfanylidene-butanoic acid

Systemtic Name: 3-aminocarbonyl-4-(ethylamino)-2-(2-methoxyethoxy)-2-[2-(4-methoxyphenyl)ethyl]-4-sulfanylidene-butanoic acid Openeye Name: 3-carbamoyl-4-(ethylamino)-2-(2-methoxyethoxy)-2-[2-(4-methoxyphenyl)ethyl]-4-thioxo-butanoic acid CAS Name: 3-carbamoyl-4-(ethylamino)-2-(2-methoxyethoxy)-2-[2-(4-methoxyphenyl)ethyl]-4-sulfanylidenebutanoic acid IUPAC Name: 3-carbamoyl-4-(ethylamino)-2-(2-methoxyethoxy)-2-[2-(4-methoxyphenyl)ethyl]-4-sulfanylidenebutanoic acid Traditional Name: 3-carbamoyl-4-(ethylamino)-2-(2-methoxyethoxy)-2-[2-(4-methoxyphenyl)ethyl]-4-thioxo-butyric acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)N)C(CCC1=CC=C(C=C1)OC)(C(=O)O)OCCOC

Isomeric SMILES

CCNC(=S)C(C(=O)N)C(CCC1=CC=C(C=C1)OC)(C(=O)O)OCCOC

InChI

InChI=1S/C19H28N2O6S/c1-4-21-17(28)15(16(20)22)19(18(23)24,27-12-11-25-2)10-9-13-5-7-14(26-3)8-6-13/h5-8,15H,4,9-12H2,1-3H3,(H2,20,22)(H,21,28)(H,23,24)