ethyl (2E)-2-prop-2-ynoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl (2E)-2-prop-2-ynoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl (2E)-2-prop-2-ynoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetate CAS Name: (2E)-2-prop-2-ynoxyimino-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-prop-2-ynoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate Traditional Name: (2E)-2-propargyloximino-2-[2-(tritylamino)thiazol-4-yl]acetic acid ethyl ester Formula: C29H25N3O3S MolecularWeight: 495.5921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NOCC#C)C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)/C(=N/OCC#C)/C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H25N3O3S/c1-3-20-35-32-26(27(33)34-4-2)25-21-36-28(30-25)31-29(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h1,5-19,21H,4,20H2,2H3,(H,30,31)/b32-26+