2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=C(O3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=C(O3)C=C(C=C4)Cl

InChI

InChI=1S/C18H17ClN2O2S/c1-10-7-14(11(2)21(10)13-4-5-13)16(22)9-24-18-20-15-6-3-12(19)8-17(15)23-18/h3,6-8,13H,4-5,9H2,1-2H3