ethyl (E)-3-(7-oxidanyl-4-oxidanylidene-8-propyl-thiochromen-2-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(7-oxidanyl-4-oxidanylidene-8-propyl-thiochromen-2-yl)prop-2-enoate Openeye Name: ethyl (E)-3-(7-hydroxy-4-oxo-8-propyl-thiochromen-2-yl)prop-2-enoate CAS Name: (E)-3-(7-hydroxy-4-oxo-8-propyl-1-benzothiopyran-2-yl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(7-hydroxy-4-oxo-8-propylthiochromen-2-yl)prop-2-enoate Traditional Name: (E)-3-(7-hydroxy-4-keto-8-propyl-thiochromen-2-yl)acrylic acid ethyl ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1SC(=CC2=O)C=CC(=O)OCC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1SC(=CC2=O)/C=C/C(=O)OCC)O

InChI

InChI=1S/C17H18O4S/c1-3-5-12-14(18)8-7-13-15(19)10-11(22-17(12)13)6-9-16(20)21-4-2/h6-10,18H,3-5H2,1-2H3/b9-6+