(2S)-2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide

Systemtic Name: (2S)-2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide Openeye Name: (2S)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(thiazol-4-ylmethyl)propanamide CAS Name: (2S)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(4-thiazolylmethyl)propanamide IUPAC Name: (2S)-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide Traditional Name: (2S)-2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-N-(thiazol-4-ylmethyl)propionamide Formula: C15H16N4O5S2 MolecularWeight: 396.44134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C15H16N4O5S2/c1-9(14(20)16-6-10-7-25-8-17-10)18-26(22,23)11-3-4-12-13(5-11)24-15(21)19(12)2/h3-5,7-9,18H,6H2,1-2H3,(H,16,20)/t9-/m0/s1