(3S)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate Openeye Name: (3S)-4-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-3-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (3S)-4-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-3-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (3S)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (3S)-4-keto-4-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-3-morpholin-4-ium-4-yl-butyrate Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(CC(=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](CC(=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C18H21N3O5S/c1-25-13-4-2-12(3-5-13)14-11-27-18(19-14)20-17(24)15(10-16(22)23)21-6-8-26-9-7-21/h2-5,11,15H,6-10H2,1H3,(H,22,23)(H,19,20,24)/t15-/m0/s1