(3E)-6-methyl-3-[7-(1-methylindol-3-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione

Systemtic Name: (3E)-6-methyl-3-[7-(1-methylindol-3-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[7-(1-methylindol-3-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[7-(1-methyl-3-indolyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[7-(1-methylindol-3-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[7-(1-methylindol-3-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CN(C4=CC=CC=C43)C)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CN(C4=CC=CC=C43)C)/C(=O)O1

InChI

InChI=1S/C20H20N2O3S/c1-12-9-17(23)19(20(24)25-12)15-10-18(26-8-7-21-15)14-11-22(2)16-6-4-3-5-13(14)16/h3-6,9,11,18,21H,7-8,10H2,1-2H3/b19-15+