6-methyl-3-[(7S)-7-phenyl-1,4-thiazepan-5-ylidene]pyran-2,4-dione

Systemtic Name: 6-methyl-3-[(7S)-7-phenyl-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(7S)-7-phenyl-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(7S)-7-phenyl-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(7S)-7-phenyl-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(7S)-7-phenyl-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC=CC=C3)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC=CC=C3)C(=O)O1

InChI

InChI=1S/C17H17NO3S/c1-11-9-14(19)16(17(20)21-11)13-10-15(22-8-7-18-13)12-5-3-2-4-6-12/h2-6,9,15,18H,7-8,10H2,1H3/t15-/m0/s1