(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylthiophen-2-yl)methanamine

Systemtic Name: (7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylthiophen-2-yl)methanamine Openeye Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-thienyl)methanamine CAS Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-thiophenyl)methanamine IUPAC Name: (7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methylthiophen-2-yl)methanamine Traditional Name: [(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(3-methyl-2-thienyl)methyl]amine Formula: C15H16ClNO2S MolecularWeight: 309.81104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC3=C(C=C2Cl)OCCCO3)N

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC3=C(C=C2Cl)OCCCO3)N

InChI

InChI=1S/C15H16ClNO2S/c1-9-3-6-20-15(9)14(17)10-7-12-13(8-11(10)16)19-5-2-4-18-12/h3,6-8,14H,2,4-5,17H2,1H3