ethyl (3R,4S)-2-azanylidene-4-(furan-2-yl)-7,7-dimethyl-5-oxidanylidene-3,4,6,8-tetrahydrothiochromene-3-carboxylate

Systemtic Name: ethyl (3R,4S)-2-azanylidene-4-(furan-2-yl)-7,7-dimethyl-5-oxidanylidene-3,4,6,8-tetrahydrothiochromene-3-carboxylate Openeye Name: ethyl (3R,4S)-4-(2-furyl)-2-imino-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrothiochromene-3-carboxylate CAS Name: (3R,4S)-4-(2-furanyl)-2-imino-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-1-benzothiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-4-(furan-2-yl)-2-imino-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydrothiochromene-3-carboxylate Traditional Name: (3R,4S)-4-(2-furyl)-2-imino-5-keto-7,7-dimethyl-3,4,6,8-tetrahydrothiochromene-3-carboxylic acid ethyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)SC1=N)C3=CC=CO3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C2=C(CC(CC2=O)(C)C)SC1=N)C3=CC=CO3

InChI

InChI=1S/C18H21NO4S/c1-4-22-17(21)15-14(11-6-5-7-23-11)13-10(20)8-18(2,3)9-12(13)24-16(15)19/h5-7,14-15,19H,4,8-9H2,1-3H3/t14-,15+/m1/s1