ethyl 3-[[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[[2-(methylsulfonylamino)-1,3-benzothiazol-6-yl]carbamoylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]carbamoylamino]-3-phenyl-propanoate CAS Name: 3-[[[[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]carbamoylamino]-3-phenylpropanoate Traditional Name: 3-[[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]carbamoylamino]-3-phenyl-propionic acid ethyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)NC2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C

InChI

InChI=1S/C20H22N4O5S2/c1-3-29-18(25)12-16(13-7-5-4-6-8-13)22-19(26)21-14-9-10-15-17(11-14)30-20(23-15)24-31(2,27)28/h4-11,16H,3,12H2,1-2H3,(H,23,24)(H2,21,22,26)