9H-fluoren-9-ylmethyl N-[(3R)-7-aminocarbonyl-4-oxidanylidene-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-aminocarbonyl-4-oxidanylidene-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-carbamoyl-4-oxo-5-(3-thienylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate CAS Name: N-[(3R)-7-carbamoyl-4-oxo-5-(3-thiophenylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(3R)-7-carbamoyl-4-oxo-5-(thiophen-3-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamate Traditional Name: N-[(3R)-7-carbamoyl-4-keto-5-(3-thenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C30H25N3O4S2 MolecularWeight: 555.6672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=C(S1)C=CC(=C2)C(=O)N)CC3=CSC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1[C@@H](C(=O)N(C2=C(S1)C=CC(=C2)C(=O)N)CC3=CSC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C30H25N3O4S2/c31-28(34)19-9-10-27-26(13-19)33(14-18-11-12-38-16-18)29(35)25(17-39-27)32-30(36)37-15-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-13,16,24-25H,14-15,17H2,(H2,31,34)(H,32,36)/t25-/m0/s1