N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-methyl-butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-methyl-butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-methyl-butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-2-pyrrolyl]-3-methylbutanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethylpyrrol-2-yl]-3-methylbutanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-4,5-dimethyl-pyrrol-2-yl]-3-methyl-butyramide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C2=NC3=CC=CC=C3S2)NC(=O)CC(C)C)CCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C2=NC3=CC=CC=C3S2)NC(=O)CC(C)C)CCOC)C

InChI

InChI=1S/C21H27N3O2S/c1-13(2)12-18(25)23-20-19(14(3)15(4)24(20)10-11-26-5)21-22-16-8-6-7-9-17(16)27-21/h6-9,13H,10-12H2,1-5H3,(H,23,25)