(8Z)-4-methyl-8-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)chromene-2,7-dione

Systemtic Name: (8Z)-4-methyl-8-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)chromene-2,7-dione Openeye Name: (8Z)-4-methyl-8-[2-(2-thienyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]chromene-2,7-dione CAS Name: (8Z)-4-methyl-8-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)-1-benzopyran-2,7-dione IUPAC Name: (8Z)-4-methyl-8-(2-thiophen-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)chromene-2,7-dione Traditional Name: (8Z)-4-methyl-8-[2-(2-thienyl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]chromene-2,7-quinone Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=O)C2=C3CC(NC4=CC=CC=C4N3)C5=CC=CS5

Isomeric SMILES

CC1=CC(=O)OC\2=C1C=CC(=O)/C2=C\3/CC(NC4=CC=CC=C4N3)C5=CC=CS5

InChI

InChI=1S/C23H18N2O3S/c1-13-11-21(27)28-23-14(13)8-9-19(26)22(23)18-12-17(20-7-4-10-29-20)24-15-5-2-3-6-16(15)25-18/h2-11,17,24-25H,12H2,1H3/b22-18+