N-[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1S)-1-(2-methoxyethylcarbamoyl)-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2S)-1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1S)-1-(2-methoxyethylcarbamoyl)-2-methyl-propyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCOC)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCOC)NC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C20H24N4O3S/c1-13(2)17(19(26)21-8-11-27-3)23-18(25)14-6-7-15-16(12-14)28-20(22-15)24-9-4-5-10-24/h4-7,9-10,12-13,17H,8,11H2,1-3H3,(H,21,26)(H,23,25)/t17-/m0/s1