ethyl 4-[2-[(5S)-2-(cyclohexylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(5S)-2-(cyclohexylamino)-4-oxidanylidene-1,3-thiazol-5-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5S)-2-(cyclohexylamino)-4-oxo-thiazol-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5S)-2-(cyclohexylamino)-4-oxo-5-thiazolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5S)-2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5S)-2-(cyclohexylamino)-4-keto-2-thiazolin-5-yl]acetyl]amino]benzoic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N=C(S2)NC3CCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-2-27-19(26)13-8-10-15(11-9-13)21-17(24)12-16-18(25)23-20(28-16)22-14-6-4-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3,(H,21,24)(H,22,23,25)/t16-/m0/s1