1,3-thiazol-4-yl 2-azanyl-3-oxidanylidene-3-[1-(phenylmethyl)indol-3-yl]propanoate

Systemtic Name: 1,3-thiazol-4-yl 2-azanyl-3-oxidanylidene-3-[1-(phenylmethyl)indol-3-yl]propanoate Openeye Name: thiazol-4-yl 2-amino-3-(1-benzylindol-3-yl)-3-oxo-propanoate CAS Name: 2-amino-3-oxo-3-[1-(phenylmethyl)-3-indolyl]propanoic acid 4-thiazolyl ester IUPAC Name: 1,3-thiazol-4-yl 2-amino-3-(1-benzylindol-3-yl)-3-oxopropanoate Traditional Name: 2-amino-3-(1-benzylindol-3-yl)-3-keto-propionic acid thiazol-4-yl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(C(=O)OC4=CSC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(C(=O)OC4=CSC=N4)N

InChI

InChI=1S/C21H17N3O3S/c22-19(21(26)27-18-12-28-13-23-18)20(25)16-11-24(10-14-6-2-1-3-7-14)17-9-5-4-8-15(16)17/h1-9,11-13,19H,10,22H2