ethyl 4-oxidanylidene-3-propyl-2-[(E)-2-thiophen-2-ylethenyl]chromene-6-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-3-propyl-2-[(E)-2-thiophen-2-ylethenyl]chromene-6-carboxylate Openeye Name: ethyl 4-oxo-3-propyl-2-[(E)-2-(2-thienyl)vinyl]chromene-6-carboxylate CAS Name: 4-oxo-3-propyl-2-[(E)-2-thiophen-2-ylethenyl]-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-propyl-2-[(E)-2-thiophen-2-ylethenyl]chromene-6-carboxylate Traditional Name: 4-keto-3-propyl-2-[(E)-2-(2-thienyl)vinyl]chromene-6-carboxylic acid ethyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCC)C=CC3=CC=CS3

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCC)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H20O4S/c1-3-6-16-18(11-9-15-7-5-12-26-15)25-19-10-8-14(21(23)24-4-2)13-17(19)20(16)22/h5,7-13H,3-4,6H2,1-2H3/b11-9+