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

Systemtic Name: ethyl 2-[2-[(3-aminocarbonyl-4-azanyl-1,2-thiazol-5-yl)carbonyl-(3-methylphenyl)amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(N-(4-amino-3-carbamoyl-isothiazole-5-carbonyl)-3-methyl-anilino)acetyl]amino]acetate CAS Name: 2-[[2-(N-[(4-amino-3-carbamoyl-5-isothiazolyl)-oxomethyl]-3-methylanilino)-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(N-(4-amino-3-carbamoyl-1,2-thiazole-5-carbonyl)-3-methylanilino)acetyl]amino]acetate Traditional Name: 2-[[2-(N-(4-amino-3-carbamoyl-isothiazole-5-carbonyl)-3-methyl-anilino)acetyl]amino]acetic acid ethyl ester Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN(C1=CC=CC(=C1)C)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCOC(=O)CNC(=O)CN(C1=CC=CC(=C1)C)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C18H21N5O5S/c1-3-28-13(25)8-21-12(24)9-23(11-6-4-5-10(2)7-11)18(27)16-14(19)15(17(20)26)22-29-16/h4-7H,3,8-9,19H2,1-2H3,(H2,20,26)(H,21,24)