3-acetamido-N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-(1,3-benzothiazol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-(1,3-benzothiazol-2-yl)-N-(2-oxolanylmethyl)-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-(1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-(1,3-benzothiazol-2-yl)-N-(tetrahydrofurfuryl)-3-(2-thienyl)propionamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N(CC1CCCO1)C2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

CC(=O)NC(CC(=O)N(CC1CCCO1)C2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C21H23N3O3S2/c1-14(25)22-17(18-9-5-11-28-18)12-20(26)24(13-15-6-4-10-27-15)21-23-16-7-2-3-8-19(16)29-21/h2-3,5,7-9,11,15,17H,4,6,10,12-13H2,1H3,(H,22,25)