ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(1,3-thiazol-2-yl)carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(1,3-thiazol-2-yl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-thiazol-2-yl-carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(2-thiazolyl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(1,3-thiazol-2-yl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[phenylalanyl(thiazol-2-yl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)N(C2=NC=CS2)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N(C2=NC=CS2)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C18H20N4O4S/c1-2-26-17(25)14-13(21-14)16(24)22(18-20-8-9-27-18)15(23)12(19)10-11-6-4-3-5-7-11/h3-9,12-14,21H,2,10,19H2,1H3