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

Systemtic Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-ethoxy-benzamide Openeye Name: N-[(1S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-methyl-propyl]-2-ethoxy-benzamide CAS Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide IUPAC Name: N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide Traditional Name: N-[(1S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-2-methyl-propyl]-2-ethoxy-benzamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H27N3O3S/c1-5-29-18-12-8-6-10-16(18)22(27)25-21(15(2)3)23(28)26(4)14-20-24-17-11-7-9-13-19(17)30-20/h6-13,15,21H,5,14H2,1-4H3,(H,25,27)/t21-/m0/s1