ethyl 2-[(4-methyl-3-oxidanylidene-2-phenyl-1,2,4-thiadiazolidin-5-ylidene)amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(4-methyl-3-oxidanylidene-2-phenyl-1,2,4-thiadiazolidin-5-ylidene)amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(4-methyl-3-oxo-2-phenyl-1,2,4-thiadiazolidin-5-ylidene)amino]-3-phenyl-propanoate CAS Name: 2-[(4-methyl-3-oxo-2-phenyl-1,2,4-thiadiazolidin-5-ylidene)amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-methyl-3-oxo-2-phenyl-1,2,4-thiadiazolidin-5-ylidene)amino]-3-phenylpropanoate Traditional Name: 2-[(3-keto-4-methyl-2-phenyl-1,2,4-thiadiazolidin-5-ylidene)amino]-3-phenyl-propionic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)N=C2N(C(=O)N(S2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)N=C2N(C(=O)N(S2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O3S/c1-3-26-18(24)17(14-15-10-6-4-7-11-15)21-19-22(2)20(25)23(27-19)16-12-8-5-9-13-16/h4-13,17H,3,14H2,1-2H3