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

Systemtic Name: ethyl 2-[2-[(3-aminocarbonyl-4-azanyl-1,2-thiazol-5-yl)carbonyl-(phenylmethyl)amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[(4-amino-3-carbamoyl-isothiazole-5-carbonyl)-benzyl-amino]acetyl]amino]acetate CAS Name: 2-[[2-[[(4-amino-3-carbamoyl-5-isothiazolyl)-oxomethyl]-(phenylmethyl)amino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-amino-3-carbamoyl-1,2-thiazole-5-carbonyl)-benzylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-amino-3-carbamoyl-isothiazole-5-carbonyl)-benzyl-amino]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(CC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCOC(=O)CNC(=O)CN(CC1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C18H21N5O5S/c1-2-28-13(25)8-21-12(24)10-23(9-11-6-4-3-5-7-11)18(27)16-14(19)15(17(20)26)22-29-16/h3-7H,2,8-10,19H2,1H3,(H2,20,26)(H,21,24)