methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butyric acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O3S/c1-12(2)17(19(24)26-3)23-20(25)21-14-10-8-13(9-11-14)18-22-15-6-4-5-7-16(15)27-18/h4-12,17H,1-3H3,(H2,21,23,25)/t17-/m0/s1