butyl 2-thianthren-2-ylethanoate

Systemtic Name: butyl 2-thianthren-2-ylethanoate Openeye Name: butyl 2-thianthren-2-ylacetate CAS Name: 2-(2-thianthrenyl)acetic acid butyl ester IUPAC Name: butyl 2-thianthren-2-ylacetate Traditional Name: 2-thianthren-2-ylacetic acid butyl ester Formula: C18H18O2S2 MolecularWeight: 330.46432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC(=O)CC1=CC2=C(C=C1)SC3=CC=CC=C3S2

InChI

InChI=1S/C18H18O2S2/c1-2-3-10-20-18(19)12-13-8-9-16-17(11-13)22-15-7-5-4-6-14(15)21-16/h4-9,11H,2-3,10,12H2,1H3