ethyl 2-[2-[(3-aminocarbonyl-4-azanyl-1,2-thiazol-5-yl)carbonyl-(2-ethylphenyl)amino]propanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[(3-aminocarbonyl-4-azanyl-1,2-thiazol-5-yl)carbonyl-(2-ethylphenyl)amino]propanoylamino]ethanoate Openeye Name: ethyl 2-[2-(N-(4-amino-3-carbamoyl-isothiazole-5-carbonyl)-2-ethyl-anilino)propanoylamino]acetate CAS Name: 2-[[2-(N-[(4-amino-3-carbamoyl-5-isothiazolyl)-oxomethyl]-2-ethylanilino)-1-oxopropyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(N-(4-amino-3-carbamoyl-1,2-thiazole-5-carbonyl)-2-ethylanilino)propanoylamino]acetate Traditional Name: 2-[2-(N-(4-amino-3-carbamoyl-isothiazole-5-carbonyl)-2-ethyl-anilino)propanoylamino]acetic acid ethyl ester Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C(C)C(=O)NCC(=O)OCC)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCC1=CC=CC=C1N(C(C)C(=O)NCC(=O)OCC)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C20H25N5O5S/c1-4-12-8-6-7-9-13(12)25(11(3)19(28)23-10-14(26)30-5-2)20(29)17-15(21)16(18(22)27)24-31-17/h6-9,11H,4-5,10,21H2,1-3H3,(H2,22,27)(H,23,28)