N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-ethoxy-benzamide Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide IUPAC Name: N-[(2S)-1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: N-[(1S)-1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-4-ethoxy-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c1-4-27-15-11-9-14(10-12-15)19(25)23-18(13(2)3)20(26)24-21-22-16-7-5-6-8-17(16)28-21/h5-13,18H,4H2,1-3H3,(H,23,25)(H,22,24,26)/t18-/m0/s1