(3E)-6-methyl-3-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)pyran-2,4-dione

Systemtic Name: (3E)-6-methyl-3-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[2-(2-thienyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[2-(2-thienyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]pyran-2,4-quinone Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(NC3=CC=CC=C3N2)C4=CC=CS4)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(NC3=CC=CC=C3N2)C4=CC=CS4)/C(=O)O1

InChI

InChI=1S/C19H16N2O3S/c1-11-9-16(22)18(19(23)24-11)15-10-14(17-7-4-8-25-17)20-12-5-2-3-6-13(12)21-15/h2-9,14,20-21H,10H2,1H3/b18-15+